7-Hydroxypyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one|11-hydroxy-2,3,7,11-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,12-pentaen-10-one|11-hydroxy-2,3,7,11-tetraazatricyclo[7.4.0.0<sup>2</s...

General Information

Structure

Molecular Formula

C₉H₆N₄O₂

Molecular Mass

202.16954

Exact Mass

202.04907545

Charge

InChI

InChI=1S/C9H6N4O2/c14-9-6-5-10-8-1-3-11-13(8)7(6)2-4-12(9)15/h1-5,15H

InChIKey

LNBBAAKEXPSAEB-UHFFFAOYSA-N

Canonic Smiles

On1ccc2c(c1=O)cnc1n2ncc1

Isomeric Smiles

c12c(n3c(nc2)ccn3)ccn(c1=O)O

Calculated Properties

JChem

Acid pKa

6.655757

H Acceptors

H Donor

LogD (pH = 5.5)

-0.10842487

LogD (pH = 7.4)

-0.88540894

Log P

-0.07922407

Molar Refractivity

62.7935

Polarizability

18.720896

Polar Surface Area

70.73

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

7-Hydroxypyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-6(7H)-one

IUPAC Traditional name

11-hydroxy-2,3,7,11-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,12-pentaen-10-one 11-hydroxy-2,3,7,11-tetraazatricyclo[7.4.0.0²,⁶]trideca-1(9),3,5,7,12-pentaen-10-one

IUPAC name

11-hydroxy-2,3,7,11-tetraazatricyclo[7.4.0.0²,⁶]trideca-1(9),3,5,7,12-pentaen-10-one 11-hydroxy-2,3,7,11-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,12-pentaen-10-one

Names and Identifiers

Registration numbers

PubChem CID

45588709

MDL Number

MFCD15203741

PubChem SID

162026892

Registration numbers

Properties

Safety Information

Storage Warning