methyl 2-amino-6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate|2-[2-Amino-4,7-dihydro-3-(methoxycarbonyl)thieno[2,3-c]pyridin-6(5H)-yl]-3-chloro-5-(trifl...

General Information

Structure

Molecular Formula

C₁₅H₁₃ClF₃N₃O₂S

Molecular Mass

391.7958296

Exact Mass

391.03691001

Charge

InChI

InChI=1S/C15H13ClF3N3O2S/c1-24-14(23)11-8-2-3-22(6-10(8)25-12(11)20)13-9(16)4-7(5-21-13)15(17,18)19/h4-5H,2-3,6,20H2,1H3

InChIKey

NWUBXLKKYZCTEL-UHFFFAOYSA-N

Canonic Smiles

COC(=O)c1c(N)sc2c1CCN(C2)c1ncc(cc1Cl)C(F)(F)F

Isomeric Smiles

c1(c(sc2c1CCN(c1ncc(cc1Cl)C(F)(F)F)C2)N)C(=O)OC

Calculated Properties

JChem

Acid pKa

17.650782

H Acceptors

H Donor

LogD (pH = 5.5)

4.603694

LogD (pH = 7.4)

4.6077065

Log P

4.607758

Molar Refractivity

90.1194

Polarizability

32.406708

Polar Surface Area

68.45

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

methyl 2-amino-6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylate

IUPAC Traditional name

methyl 2-amino-6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4H,5H,7H-thieno[2,3-c]pyridine-3-carboxylate

Synonyms

2-[2-Amino-4,7-dihydro-3-(methoxycarbonyl)thieno[2,3-c]pyridin-6(5H)-yl]-3-chloro-5-(trifluoromethyl)pyridineMethyl 2-amino-6-[3-chloro-5-(trifluoromethyl)-2-p yridinyl]-4,5,6,7-tetrahydrothieno[2,3-c] pyridine2-Amino-6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(methoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridineMethyl 2-amino-6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate 97%methyl 2-amino-6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5,6,7-tetrahydrothieno[2,3-c] pyridine-3-carboxylate

Names and Identifiers

Registration numbers

MDL Number

MFCD00180791

PubChem CID

1483737

PubChem SID

162045198

Registration numbers