1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

C27H31N9O — CID 170737635

IUPAC1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2c(cnn2-c2cc(NC3CCCC3)c(-n3cc(C4CCC(CCO)CC4)nn3)cn2)c1
InChIInChI=1S/C27H31N9O/c28-13-19-11-21-15-31-36(27(21)30-14-19)26-12-23(32-22-3-1-2-4-22)25(16-29-26)35-17-24(33-34-35)20-7-5-18(6-8-20)9-10-37/h11-12,14-18,20,22,37H,1-10H2,(H,29,32)
InChIKeyKPOJQGKUUKQEFN-UHFFFAOYSA-N
MW497.61 g/mol
LogP4.28
Rot. Bonds7

About 1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 170737635) has the molecular formula C27H31N9O and a molecular weight of 497.61 g/mol. Its IUPAC name is 1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID170737635
Molecular FormulaC27H31N9O
Molecular Weight497.61 g/mol
Exact Mass497.27
IUPAC Name1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2c(cnn2-c2cc(NC3CCCC3)c(-n3cc(C4CCC(CCO)CC4)nn3)cn2)c1
InChIInChI=1S/C27H31N9O/c28-13-19-11-21-15-31-36(27(21)30-14-19)26-12-23(32-22-3-1-2-4-22)25(16-29-26)35-17-24(33-34-35)20-7-5-18(6-8-20)9-10-37/h11-12,14-18,20,22,37H,1-10H2,(H,29,32)
InChIKeyKPOJQGKUUKQEFN-UHFFFAOYSA-N
XLogP4.28
TPSA130.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.61
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 170737635) is 1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is N#Cc1cnc2c(cnn2-c2cc(NC3CCCC3)c(-n3cc(C4CCC(CCO)CC4)nn3)cn2)c1.
What is the InChIKey of 1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is KPOJQGKUUKQEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N9O/c28-13-19-11-21-15-31-36(27(21)30-14-19)26-12-23(32-22-3-1-2-4-22)25(16-29-26)35-17-24(33-34-35)20-7-5-18(6-8-20)9-10-37/h11-12,14-18,20,22,37H,1-10H2,(H,29,32).
What are the key properties of 1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 497.61 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 170737635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).