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

C26H30N8O2 — CID 144532727

IUPACcyclohexanol;3-[2-(1,4-diazepan-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
SMILESN#Cc1ccn2ncc(-c3ccc4nc(N5CCCNCC5)c(=O)[nH]c4n3)c2c1.OC1CCCCC1
InChIInChI=1S/C20H18N8O.C6H12O/c21-11-13-4-8-28-17(10-13)14(12-23-28)15-2-3-16-18(24-15)26-20(29)19(25-16)27-7-1-5-22-6-9-27;7-6-4-2-1-3-5-6/h2-4,8,10,12,22H,1,5-7,9H2,(H,24,26,29);6-7H,1-5H2
InChIKeyJGLARLSYCQBWPM-UHFFFAOYSA-N
MW486.58 g/mol
LogP2.62
Rot. Bonds2

About 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

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 (PubChem CID 144532727) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecyclohexanol;3-[2-(1,4-diazepan-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
PubChem CID144532727
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC Namecyclohexanol;3-[2-(1,4-diazepan-1-yl)-3-oxo-4H-pyrido[2,3-b]pyrazin-6-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
SMILESN#Cc1ccn2ncc(-c3ccc4nc(N5CCCNCC5)c(=O)[nH]c4n3)c2c1.OC1CCCCC1
InChIInChI=1S/C20H18N8O.C6H12O/c21-11-13-4-8-28-17(10-13)14(12-23-28)15-2-3-16-18(24-15)26-20(29)19(25-16)27-7-1-5-22-6-9-27;7-6-4-2-1-3-5-6/h2-4,8,10,12,22H,1,5-7,9H2,(H,24,26,29);6-7H,1-5H2
InChIKeyJGLARLSYCQBWPM-UHFFFAOYSA-N
XLogP2.62
TPSA135.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
CID 67123912
3-[8-oxo-9-[(3R)-pyrrolidin-3-yl]-7H-purin-2-yl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 67123546
3-[6-(2,2-dimethylpropylamino)-2-pyridinyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
CID 53357945
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
cyclohexylmethyl 2-cyano-2-(3-piperazin-1-ylquinoxalin-2-yl)acetate
CID 135348554
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-2-carboxamide
CID 44815291
cyclohexylmethyl 2-cyano-2-[6-(4-fluorophenyl)-3-piperazin-1-ylquinoxalin-2-yl]acetate
CID 135348540
7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one
CID 59995586
3-(6-piperidin-3-yl-2-pyridinyl)-5-propan-2-yloxypyrazolo[1,5-a]pyridine
CID 175682020

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccn2ncc(-c3ccc4nc(N5CCCNCC5)c(=O)[nH]c4n3)c2c1.OC1CCCCC1.
What is the InChIKey of 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?
The InChIKey is JGLARLSYCQBWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O.C6H12O/c21-11-13-4-8-28-17(10-13)14(12-23-28)15-2-3-16-18(24-15)26-20(29)19(25-16)27-7-1-5-22-6-9-27;7-6-4-2-1-3-5-6/h2-4,8,10,12,22H,1,5-7,9H2,(H,24,26,29);6-7H,1-5H2.
What are the key properties of 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?
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 has a molecular weight of 486.58 g/mol, XLogP of 2.62, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144532727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).