3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol

C25H28N8O2 — CID 144532733

IUPAC3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol
SMILESN#Cc1ccn2ncc(-c3ccc4nc(N5CCC(N)C5)c(=O)[nH]c4n3)c2c1.OC1CCCCC1
InChIInChI=1S/C19H16N8O.C6H12O/c20-8-11-3-6-27-16(7-11)13(9-22-27)14-1-2-15-17(23-14)25-19(28)18(24-15)26-5-4-12(21)10-26;7-6-4-2-1-3-5-6/h1-3,6-7,9,12H,4-5,10,21H2,(H,23,25,28);6-7H,1-5H2
InChIKeyISELUZFMXAKYRI-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.35
Rot. Bonds2

About 3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol

3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol (PubChem CID 144532733) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol.

Molecular Properties

Compound Name3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol
PubChem CID144532733
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol
SMILESN#Cc1ccn2ncc(-c3ccc4nc(N5CCC(N)C5)c(=O)[nH]c4n3)c2c1.OC1CCCCC1
InChIInChI=1S/C19H16N8O.C6H12O/c20-8-11-3-6-27-16(7-11)13(9-22-27)14-1-2-15-17(23-14)25-19(28)18(24-15)26-5-4-12(21)10-26;7-6-4-2-1-3-5-6/h1-3,6-7,9,12H,4-5,10,21H2,(H,23,25,28);6-7H,1-5H2
InChIKeyISELUZFMXAKYRI-UHFFFAOYSA-N
XLogP2.35
TPSA149.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

cyclohexanol;3-[2-(1,4-diazepan-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 144532727
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-[9-[(1R,3R)-3-hydroxycyclohexyl]-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
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N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 44815291
3-[9-[(3S)-1-acetylpiperidin-3-yl]-8-oxo-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67124097
3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123546
4-amino-3-(4-hydroxypiperidin-1-yl)benzonitrile
CID 104711326
5-cyanopyrazolo[1,5-a]pyridine-3-carboxamide
CID 130664445
3-(3-aminopyrrolidin-1-yl)benzonitrile
CID 62068386
3-[7-methyl-8-oxo-9-[(3S)-pyrrolidin-3-yl]purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123682
2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-amine;cyclohexanol
CID 144532731
3-[8-oxo-9-(1-propylsulfonylpiperidin-3-yl)-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol?
The IUPAC name of 3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol (CID 144532733) is 3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol.
What is the SMILES notation for 3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol?
The canonical SMILES for 3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol is N#Cc1ccn2ncc(-c3ccc4nc(N5CCC(N)C5)c(=O)[nH]c4n3)c2c1.OC1CCCCC1.
What is the InChIKey of 3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol?
The InChIKey is ISELUZFMXAKYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8O.C6H12O/c20-8-11-3-6-27-16(7-11)13(9-22-27)14-1-2-15-17(23-14)25-19(28)18(24-15)26-5-4-12(21)10-26;7-6-4-2-1-3-5-6/h1-3,6-7,9,12H,4-5,10,21H2,(H,23,25,28);6-7H,1-5H2.
What are the key properties of 3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol?
3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol has a molecular weight of 472.55 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminopyrrolidin-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile;cyclohexanol is sourced from PubChem (CID 144532733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).