2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one

C18H15ClN6O3 — CID 144532715

IUPAC2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one
SMILESO=C1CC(n2c(=O)[nH]c3cnc(-c4cnn5ccc(Cl)cc45)nc32)CC[C@H]1O
InChIInChI=1S/C18H15ClN6O3/c19-9-3-4-24-13(5-9)11(7-21-24)16-20-8-12-17(23-16)25(18(28)22-12)10-1-2-14(26)15(27)6-10/h3-5,7-8,10,14,26H,1-2,6H2,(H,22,28)/t10?,14-/m1/s1
InChIKeyCVMMLYNURNLKFS-LNUXAPHWSA-N
MW398.81 g/mol
LogP1.74
Rot. Bonds2

About 2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one

2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one (PubChem CID 144532715) has the molecular formula C18H15ClN6O3 and a molecular weight of 398.81 g/mol. Its IUPAC name is 2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one.

Molecular Properties

Compound Name2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one
PubChem CID144532715
Molecular FormulaC18H15ClN6O3
Molecular Weight398.81 g/mol
Exact Mass398.09
IUPAC Name2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one
SMILESO=C1CC(n2c(=O)[nH]c3cnc(-c4cnn5ccc(Cl)cc45)nc32)CC[C@H]1O
InChIInChI=1S/C18H15ClN6O3/c19-9-3-4-24-13(5-9)11(7-21-24)16-20-8-12-17(23-16)25(18(28)22-12)10-1-2-14(26)15(27)6-10/h3-5,7-8,10,14,26H,1-2,6H2,(H,22,28)/t10?,14-/m1/s1
InChIKeyCVMMLYNURNLKFS-LNUXAPHWSA-N
XLogP1.74
TPSA118.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-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

3-[9-[(1R,3R)-3-hydroxycyclohexyl]-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123912
3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123546
3-[9-[(3S)-1-acetylpiperidin-3-yl]-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67124097
9-(4,4-difluorocyclohexyl)-2-pyrazolo[1,5-a]pyrazin-3-yl-7H-purin-8-one
CID 54767864
9-[(3S)-1-methylsulfonylpiperidin-3-yl]-2-pyrazolo[1,5-a]pyridin-3-yl-7H-purin-8-one
CID 67123779
3-[8-oxo-9-(1-propylsulfonylpiperidin-3-yl)-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123574
3-[9-(8-fluoro-3,4-dihydro-2H-chromen-2-yl)-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123718
2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-amine;cyclohexanol
CID 144532731
2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-amine
CID 144532732
3-(2-oxo-3-piperidin-3-yl-1H-imidazo[4,5-b]pyridin-5-yl)pyrazolo[1,5-a]pyridine-5-carbonitrile;hydrochloride
CID 67123800
2-(6-chlorobenzimidazol-1-yl)-9-[(4R)-7-fluoro-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-purin-8-one
CID 59846467
2-chloro-9-(2-hydroxyspiro[3.3]heptan-6-yl)-7H-purin-8-one
CID 156776379

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one?
The IUPAC name of 2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one (CID 144532715) is 2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one.
What is the SMILES notation for 2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one?
The canonical SMILES for 2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one is O=C1CC(n2c(=O)[nH]c3cnc(-c4cnn5ccc(Cl)cc45)nc32)CC[C@H]1O.
What is the InChIKey of 2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one?
The InChIKey is CVMMLYNURNLKFS-LNUXAPHWSA-N. The full InChI is InChI=1S/C18H15ClN6O3/c19-9-3-4-24-13(5-9)11(7-21-24)16-20-8-12-17(23-16)25(18(28)22-12)10-1-2-14(26)15(27)6-10/h3-5,7-8,10,14,26H,1-2,6H2,(H,22,28)/t10?,14-/m1/s1.
What are the key properties of 2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one?
2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one has a molecular weight of 398.81 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one is sourced from PubChem (CID 144532715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).