3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile

C17H14N8O — CID 67123546

IUPAC3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
SMILESN#Cc1ccn2ncc(-c3ncc4[nH]c(=O)n([C@@H]5CCNC5)c4n3)c2c1
InChIInChI=1S/C17H14N8O/c18-6-10-2-4-24-14(5-10)12(8-21-24)15-20-9-13-16(23-15)25(17(26)22-13)11-1-3-19-7-11/h2,4-5,8-9,11,19H,1,3,7H2,(H,22,26)/t11-/m1/s1
InChIKeyXPHSGYNGOUMGFJ-LLVKDONJSA-N
MW346.35 g/mol
LogP0.84
Rot. Bonds2

About 3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile

3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile (PubChem CID 67123546) has the molecular formula C17H14N8O and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
PubChem CID67123546
Molecular FormulaC17H14N8O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
SMILESN#Cc1ccn2ncc(-c3ncc4[nH]c(=O)n([C@@H]5CCNC5)c4n3)c2c1
InChIInChI=1S/C17H14N8O/c18-6-10-2-4-24-14(5-10)12(8-21-24)15-20-9-13-16(23-15)25(17(26)22-13)11-1-3-19-7-11/h2,4-5,8-9,11,19H,1,3,7H2,(H,22,26)/t11-/m1/s1
InChIKeyXPHSGYNGOUMGFJ-LLVKDONJSA-N
XLogP0.84
TPSA116.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[9-[(1R,3R)-3-hydroxycyclohexyl]-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123912
3-[9-[(3S)-1-acetylpiperidin-3-yl]-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67124097
3-[7-methyl-8-oxo-9-[(3S)-pyrrolidin-3-yl]purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123682
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
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)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one
CID 144532715
(2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide
CID 67123510
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-[9-(oxepan-4-yl)-8-oxo-7H-purin-2-yl]benzimidazole-5-carbonitrile
CID 59846346
3-[9-(8-fluoro-3,4-dihydro-2H-chromen-4-yl)-7-(2-methoxyethyl)-8-oxopurin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123617

Frequently Asked Questions

What is the IUPAC name of 3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The IUPAC name of 3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile (CID 67123546) is 3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile.
What is the SMILES notation for 3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The canonical SMILES for 3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile is N#Cc1ccn2ncc(-c3ncc4[nH]c(=O)n([C@@H]5CCNC5)c4n3)c2c1.
What is the InChIKey of 3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The InChIKey is XPHSGYNGOUMGFJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14N8O/c18-6-10-2-4-24-14(5-10)12(8-21-24)15-20-9-13-16(23-15)25(17(26)22-13)11-1-3-19-7-11/h2,4-5,8-9,11,19H,1,3,7H2,(H,22,26)/t11-/m1/s1.
What are the key properties of 3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile has a molecular weight of 346.35 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile is sourced from PubChem (CID 67123546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).