(2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide

C18H16N8O3 — CID 67123510

IUPAC(2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide
SMILESC[C@H](C(=O)NCCO)n1c(=O)[nH]c2cnc(-c3cnn4ccc(C#N)cc34)nc21
InChIInChI=1S/C18H16N8O3/c1-10(17(28)20-3-5-27)26-16-13(23-18(26)29)9-21-15(24-16)12-8-22-25-4-2-11(7-19)6-14(12)25/h2,4,6,8-10,27H,3,5H2,1H3,(H,20,28)(H,23,29)/t10-/m1/s1
InChIKeyKQYHQDVQSWJPEY-SNVBAGLBSA-N
MW392.38 g/mol
LogP-0.02
Rot. Bonds5

About (2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide

(2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide (PubChem CID 67123510) has the molecular formula C18H16N8O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is (2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide
PubChem CID67123510
Molecular FormulaC18H16N8O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name(2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide
SMILESC[C@H](C(=O)NCCO)n1c(=O)[nH]c2cnc(-c3cnn4ccc(C#N)cc34)nc21
InChIInChI=1S/C18H16N8O3/c1-10(17(28)20-3-5-27)26-16-13(23-18(26)29)9-21-15(24-16)12-8-22-25-4-2-11(7-19)6-14(12)25/h2,4,6,8-10,27H,3,5H2,1H3,(H,20,28)(H,23,29)/t10-/m1/s1
InChIKeyKQYHQDVQSWJPEY-SNVBAGLBSA-N
XLogP-0.02
TPSA153.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide 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-[(3S)-1-acetylpiperidin-3-yl]-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67124097
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-(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
3-[7-methyl-8-oxo-9-[(3S)-pyrrolidin-3-yl]purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123682
2-(6-cyano-2-sulfanylidene-3H-benzimidazol-1-yl)-N-(2-methylpropyl)propanamide
CID 104714639
2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-9-[(4R)-4-hydroxy-3-oxocyclohexyl]-7H-purin-8-one
CID 144532715
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-propan-2-ylpyrazolo[1,5-a]pyridine-5-carbonitrile
CID 169163184
2-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]-N-ethylpropanamide
CID 104715559
3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 53357945
5-cyanopyrazolo[1,5-a]pyridine-3-carboxamide
CID 130664445

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of (2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide (CID 67123510) is (2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for (2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for (2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide is C[C@H](C(=O)NCCO)n1c(=O)[nH]c2cnc(-c3cnn4ccc(C#N)cc34)nc21.
What is the InChIKey of (2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide?
The InChIKey is KQYHQDVQSWJPEY-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H16N8O3/c1-10(17(28)20-3-5-27)26-16-13(23-18(26)29)9-21-15(24-16)12-8-22-25-4-2-11(7-19)6-14(12)25/h2,4,6,8-10,27H,3,5H2,1H3,(H,20,28)(H,23,29)/t10-/m1/s1.
What are the key properties of (2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide?
(2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide has a molecular weight of 392.38 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-8-oxo-7H-purin-9-yl]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 67123510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).