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

C20H24N6OS — CID 165436913

IUPAC5-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
SMILESCc1nc(C(=O)NC2CCC3NNC(c4cncs4)C3C2)c(C)c(C)c1C#N
InChIInChI=1S/C20H24N6OS/c1-10-11(2)18(23-12(3)15(10)7-21)20(27)24-13-4-5-16-14(6-13)19(26-25-16)17-8-22-9-28-17/h8-9,13-14,16,19,25-26H,4-6H2,1-3H3,(H,24,27)
InChIKeyRGJHQVVRGWTFDD-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.45
Rot. Bonds3

About 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

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 (PubChem CID 165436913) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID165436913
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name5-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
SMILESCc1nc(C(=O)NC2CCC3NNC(c4cncs4)C3C2)c(C)c(C)c1C#N
InChIInChI=1S/C20H24N6OS/c1-10-11(2)18(23-12(3)15(10)7-21)20(27)24-13-4-5-16-14(6-13)19(26-25-16)17-8-22-9-28-17/h8-9,13-14,16,19,25-26H,4-6H2,1-3H3,(H,24,27)
InChIKeyRGJHQVVRGWTFDD-UHFFFAOYSA-N
XLogP2.45
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-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-methyl-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide
CID 165436773
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-(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-3,4-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-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-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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C(=O)NC2CCC3NNC(c4cncs4)C3C2)c(C)c(C)c1C#N.
What is the InChIKey of 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?
The InChIKey is RGJHQVVRGWTFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-10-11(2)18(23-12(3)15(10)7-21)20(27)24-13-4-5-16-14(6-13)19(26-25-16)17-8-22-9-28-17/h8-9,13-14,16,19,25-26H,4-6H2,1-3H3,(H,24,27).
What are the key properties of 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?
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 has a molecular weight of 396.52 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165436913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).