6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide

C24H27N7O — CID 167509042

IUPAC6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(C(C)C)CC3)cc2NC(=O)c2cccc(C#N)n2)nc1
InChIInChI=1S/C24H27N7O/c1-16(2)30-11-9-18(10-12-30)21-13-23(31(29-21)22-8-7-17(3)15-26-22)28-24(32)20-6-4-5-19(14-25)27-20/h4-8,13,15-16,18H,9-12H2,1-3H3,(H,28,32)
InChIKeyQMDVYYQGSANPFN-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.68
Rot. Bonds5

About 6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide

6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide (PubChem CID 167509042) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide
PubChem CID167509042
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide
SMILESCc1ccc(-n2nc(C3CCN(C(C)C)CC3)cc2NC(=O)c2cccc(C#N)n2)nc1
InChIInChI=1S/C24H27N7O/c1-16(2)30-11-9-18(10-12-30)21-13-23(31(29-21)22-8-7-17(3)15-26-22)28-24(32)20-6-4-5-19(14-25)27-20/h4-8,13,15-16,18H,9-12H2,1-3H3,(H,28,32)
InChIKeyQMDVYYQGSANPFN-UHFFFAOYSA-N
XLogP3.68
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-piperazin-1-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide
CID 167509028
N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]-6-(1,2-thiazol-4-yl)pyridine-2-carboxamide
CID 167509025
6-[(E)-3-amino-3-oxoprop-1-enyl]-N-[3-(1-propan-2-ylpiperidin-4-yl)-1-pyridin-2-ylpyrazol-5-yl]pyridine-2-carboxamide;ethane
CID 167509034
N-[1-(5-methyl-2-pyridinyl)-3-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-5-yl]pyridine-2-carboxamide
CID 167509023
N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
CID 86292051
3-N-[1-(5-methyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 90277368
6-cyano-N-[2-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 115116559
N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554926
6-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 115116507
4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-sulfinic acid
CID 138657244
N-[3-[1-(3-fluorophenyl)sulfinylpiperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrate
CID 162336563
6-[(2R)-1-[3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 124987317

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide (CID 167509042) is 6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide is Cc1ccc(-n2nc(C3CCN(C(C)C)CC3)cc2NC(=O)c2cccc(C#N)n2)nc1.
What is the InChIKey of 6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide?
The InChIKey is QMDVYYQGSANPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-16(2)30-11-9-18(10-12-30)21-13-23(31(29-21)22-8-7-17(3)15-26-22)28-24(32)20-6-4-5-19(14-25)27-20/h4-8,13,15-16,18H,9-12H2,1-3H3,(H,28,32).
What are the key properties of 6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide?
6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167509042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).