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

C19H22N6O2 — CID 165436834

IUPAC5-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
SMILESCc1ncc(C2NNC3CCC(NC(=O)c4ncc(C#N)cc4C)CC32)o1
InChIInChI=1S/C19H22N6O2/c1-10-5-12(7-20)8-22-17(10)19(26)23-13-3-4-15-14(6-13)18(25-24-15)16-9-21-11(2)27-16/h5,8-9,13-15,18,24-25H,3-4,6H2,1-2H3,(H,23,26)
InChIKeyPKJXZEZXTMCVFY-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.67
Rot. Bonds3

About 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

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 (PubChem CID 165436834) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID165436834
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name5-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
SMILESCc1ncc(C2NNC3CCC(NC(=O)c4ncc(C#N)cc4C)CC32)o1
InChIInChI=1S/C19H22N6O2/c1-10-5-12(7-20)8-22-17(10)19(26)23-13-3-4-15-14(6-13)18(25-24-15)16-9-21-11(2)27-16/h5,8-9,13-15,18,24-25H,3-4,6H2,1-2H3,(H,23,26)
InChIKeyPKJXZEZXTMCVFY-UHFFFAOYSA-N
XLogP1.67
TPSA115.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 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-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-(6-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide
CID 165436773
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-(2-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 165436808
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
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-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-[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-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
5-cyano-3,4,6-trimethyl-N-[3-(1,3-thiazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide
CID 165436913

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncc(C2NNC3CCC(NC(=O)c4ncc(C#N)cc4C)CC32)o1.
What is the InChIKey of 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?
The InChIKey is PKJXZEZXTMCVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-10-5-12(7-20)8-22-17(10)19(26)23-13-3-4-15-14(6-13)18(25-24-15)16-9-21-11(2)27-16/h5,8-9,13-15,18,24-25H,3-4,6H2,1-2H3,(H,23,26).
What are the key properties of 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?
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 has a molecular weight of 366.43 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165436834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).