1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide

C23H26N10O — CID 138590163

IUPAC1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide
SMILESCC(C)Nc1cncc(-c2ccc3nnc(NC(=O)c4cn(C5CCNCC5)nn4)cc3c2)n1
InChIInChI=1S/C23H26N10O/c1-14(2)26-22-12-25-11-19(27-22)15-3-4-18-16(9-15)10-21(31-29-18)28-23(34)20-13-33(32-30-20)17-5-7-24-8-6-17/h3-4,9-14,17,24H,5-8H2,1-2H3,(H,26,27)(H,28,31,34)
InChIKeyCQQUBHZVLJTUPH-UHFFFAOYSA-N
MW458.53 g/mol
LogP2.68
Rot. Bonds6

About 1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide

1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide (PubChem CID 138590163) has the molecular formula C23H26N10O and a molecular weight of 458.53 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide
PubChem CID138590163
Molecular FormulaC23H26N10O
Molecular Weight458.53 g/mol
Exact Mass458.23
IUPAC Name1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide
SMILESCC(C)Nc1cncc(-c2ccc3nnc(NC(=O)c4cn(C5CCNCC5)nn4)cc3c2)n1
InChIInChI=1S/C23H26N10O/c1-14(2)26-22-12-25-11-19(27-22)15-3-4-18-16(9-15)10-21(31-29-18)28-23(34)20-13-33(32-30-20)17-5-7-24-8-6-17/h3-4,9-14,17,24H,5-8H2,1-2H3,(H,26,27)(H,28,31,34)
InChIKeyCQQUBHZVLJTUPH-UHFFFAOYSA-N
XLogP2.68
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 138588367
1-[1-(2-fluoroethyl)piperidin-4-yl]-N-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]triazole-4-carboxamide
CID 138588695
N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 138590950
tert-butyl 4-[4-[[2-[6-(propan-2-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]carbamoyl]triazol-1-yl]piperidine-1-carboxylate
CID 138591386
N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 138587820
1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone
CID 160925513
N-(6-methyl-2-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283426
1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide
CID 119753621
1-piperidin-4-yl-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)triazole-4-carboxamide;hydrochloride
CID 119753620
N-[1-(4-methylphenyl)-3-propan-2-ylpyrazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119797179
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119687105
N-(5-cycloheptyl-1H-pyrazol-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119794232

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide (CID 138590163) is 1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide is CC(C)Nc1cncc(-c2ccc3nnc(NC(=O)c4cn(C5CCNCC5)nn4)cc3c2)n1.
What is the InChIKey of 1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide?
The InChIKey is CQQUBHZVLJTUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N10O/c1-14(2)26-22-12-25-11-19(27-22)15-3-4-18-16(9-15)10-21(31-29-18)28-23(34)20-13-33(32-30-20)17-5-7-24-8-6-17/h3-4,9-14,17,24H,5-8H2,1-2H3,(H,26,27)(H,28,31,34).
What are the key properties of 1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide?
1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 138590163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).