2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one

C19H19N5O — CID 162660130

IUPAC2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one
SMILESCC(C)Cn1ccc2cc(Nc3n[nH]c4cccnc34)ccc2c1=O
InChIInChI=1S/C19H19N5O/c1-12(2)11-24-9-7-13-10-14(5-6-15(13)19(24)25)21-18-17-16(22-23-18)4-3-8-20-17/h3-10,12H,11H2,1-2H3,(H2,21,22,23)
InChIKeyCPFAKSPBLLUKBA-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.67
Rot. Bonds4

About 2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one

2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one (PubChem CID 162660130) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one
PubChem CID162660130
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one
SMILESCC(C)Cn1ccc2cc(Nc3n[nH]c4cccnc34)ccc2c1=O
InChIInChI=1S/C19H19N5O/c1-12(2)11-24-9-7-13-10-14(5-6-15(13)19(24)25)21-18-17-16(22-23-18)4-3-8-20-17/h3-10,12H,11H2,1-2H3,(H2,21,22,23)
InChIKeyCPFAKSPBLLUKBA-UHFFFAOYSA-N
XLogP3.67
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 6539526
CID 6539526
CID 11544961
CID 11544961
CID 53326206
CID 53326206
CID 71453676
CID 71453676
CID 71455408
CID 71455408
CID 9824954
CID 9824954
CID 9889904
CID 9889904
CID 11035452
CID 11035452
CID 11681507
CID 11681507
CID 11716968
CID 11716968
CID 45280210
CID 45280210
CID 53317010
CID 53317010

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one?
The IUPAC name of 2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one (CID 162660130) is 2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one.
What is the SMILES notation for 2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one?
The canonical SMILES for 2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one is CC(C)Cn1ccc2cc(Nc3n[nH]c4cccnc34)ccc2c1=O.
What is the InChIKey of 2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one?
The InChIKey is CPFAKSPBLLUKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-12(2)11-24-9-7-13-10-14(5-6-15(13)19(24)25)21-18-17-16(22-23-18)4-3-8-20-17/h3-10,12H,11H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one?
2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one has a molecular weight of 333.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-one is sourced from PubChem (CID 162660130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).