1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

C22H22N10O — CID 135185298

IUPAC1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2c(cnn2-c2cc(NC3CC3)c(-c3cn(C4CNCCC4O)nn3)cn2)c1
InChIInChI=1S/C22H22N10O/c23-7-13-5-14-9-27-32(22(14)26-8-13)21-6-17(28-15-1-2-15)16(10-25-21)18-12-31(30-29-18)19-11-24-4-3-20(19)33/h5-6,8-10,12,15,19-20,24,33H,1-4,11H2,(H,25,28)
InChIKeyZOEPGDLOKCFSAJ-UHFFFAOYSA-N
MW442.49 g/mol
LogP1.42
Rot. Bonds5

About 1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135185298) has the molecular formula C22H22N10O and a molecular weight of 442.49 g/mol. Its IUPAC name is 1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135185298
Molecular FormulaC22H22N10O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2c(cnn2-c2cc(NC3CC3)c(-c3cn(C4CNCCC4O)nn3)cn2)c1
InChIInChI=1S/C22H22N10O/c23-7-13-5-14-9-27-32(22(14)26-8-13)21-6-17(28-15-1-2-15)16(10-25-21)18-12-31(30-29-18)19-11-24-4-3-20(19)33/h5-6,8-10,12,15,19-20,24,33H,1-4,11H2,(H,25,28)
InChIKeyZOEPGDLOKCFSAJ-UHFFFAOYSA-N
XLogP1.42
TPSA142.39 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

ethane;1-[5-[1-(oxolan-3-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 145219261
1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 138727745
tert-butyl-[2-[2-[2-[2-[4-[6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-3-pyridinyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]carbamic acid
CID 138694404
1-[5-[1-(3-hydroxybutan-2-yl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135185291
1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 170737835
1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 171406471
1-[4-(cyclopentylamino)-5-[1-[4-[[4-[[4-(2,6-dioxopiperidin-3-yl)anilino]methyl]piperidin-1-yl]methyl]cyclohexyl]triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 171406459
1-[5-[1-(isocyanomethyl)triazol-4-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 140883099
1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 170737635
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 123641912
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide
CID 163400340
acetic acid;1-[4-(cyclopentylamino)-5-[4-[4-(hydroxymethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 174174938

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135185298) is 1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is N#Cc1cnc2c(cnn2-c2cc(NC3CC3)c(-c3cn(C4CNCCC4O)nn3)cn2)c1.
What is the InChIKey of 1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is ZOEPGDLOKCFSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N10O/c23-7-13-5-14-9-27-32(22(14)26-8-13)21-6-17(28-15-1-2-15)16(10-25-21)18-12-31(30-29-18)19-11-24-4-3-20(19)33/h5-6,8-10,12,15,19-20,24,33H,1-4,11H2,(H,25,28).
What are the key properties of 1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 442.49 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135185298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).