5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide

C21H24N6O — CID 165436773

IUPAC5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide
SMILESCc1ccc(C2NNC3CCC(NC(=O)c4ncc(C#N)cc4C)CC32)cn1
InChIInChI=1S/C21H24N6O/c1-12-7-14(9-22)10-24-19(12)21(28)25-16-5-6-18-17(8-16)20(27-26-18)15-4-3-13(2)23-11-15/h3-4,7,10-11,16-18,20,26-27H,5-6,8H2,1-2H3,(H,25,28)
InChIKeyOWZMVYYSMPEQSO-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.08
Rot. Bonds3

About 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide

5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide (PubChem CID 165436773) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide
PubChem CID165436773
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide
SMILESCc1ccc(C2NNC3CCC(NC(=O)c4ncc(C#N)cc4C)CC32)cn1
InChIInChI=1S/C21H24N6O/c1-12-7-14(9-22)10-24-19(12)21(28)25-16-5-6-18-17(8-16)20(27-26-18)15-4-3-13(2)23-11-15/h3-4,7,10-11,16-18,20,26-27H,5-6,8H2,1-2H3,(H,25,28)
InChIKeyOWZMVYYSMPEQSO-UHFFFAOYSA-N
XLogP2.08
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

5-cyano-3-methyl-N-(3-pyridazin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)pyridine-2-carboxamide
CID 165436956
5-cyano-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide
CID 165436778
N-[3-(5-chloro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-5-cyano-3-methylpyridine-2-carboxamide
CID 165436827
5-cyano-N-[3-(3-fluoro-5-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 165436764
5-cyano-N-[3-(4-cyanothiophen-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 165436835
5-cyano-3-methyl-N-[3-(2-methyl-1,3-oxazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide
CID 165436834
5-cyano-N-[3-(2-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 165436808
5-cyano-N-[3-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 165436825
5-cyano-3-methyl-N-[3-[1-(oxan-4-yl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide
CID 165436751
5-cyano-N-(3-imidazol-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-3-methylpyridine-2-carboxamide
CID 165436831
5-cyano-3,4-dimethyl-N-[3-[(E)-prop-1-enyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide
CID 165436935
2-cyano-3-fluoro-N-[3-(2-methoxy-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-4-carboxamide
CID 165436870

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide (CID 165436773) is 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide is Cc1ccc(C2NNC3CCC(NC(=O)c4ncc(C#N)cc4C)CC32)cn1.
What is the InChIKey of 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide?
The InChIKey is OWZMVYYSMPEQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-12-7-14(9-22)10-24-19(12)21(28)25-16-5-6-18-17(8-16)20(27-26-18)15-4-3-13(2)23-11-15/h3-4,7,10-11,16-18,20,26-27H,5-6,8H2,1-2H3,(H,25,28).
What are the key properties of 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide?
5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-methyl-N-[3-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165436773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).