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

C20H20N6OS — CID 165436835

IUPAC5-cyano-N-[3-(4-cyanothiophen-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cc(C#N)cnc1C(=O)NC1CCC2NNC(c3cc(C#N)cs3)C2C1
InChIInChI=1S/C20H20N6OS/c1-11-4-12(7-21)9-23-18(11)20(27)24-14-2-3-16-15(6-14)19(26-25-16)17-5-13(8-22)10-28-17/h4-5,9-10,14-16,19,25-26H,2-3,6H2,1H3,(H,24,27)
InChIKeyJGXMZTXDWYSRMM-UHFFFAOYSA-N
MW392.49 g/mol
LogP2.31
Rot. Bonds3

About 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

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 (PubChem CID 165436835) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-cyano-N-[3-(4-cyanothiophen-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
PubChem CID165436835
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name5-cyano-N-[3-(4-cyanothiophen-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
SMILESCc1cc(C#N)cnc1C(=O)NC1CCC2NNC(c3cc(C#N)cs3)C2C1
InChIInChI=1S/C20H20N6OS/c1-11-4-12(7-21)9-23-18(11)20(27)24-14-2-3-16-15(6-14)19(26-25-16)17-5-13(8-22)10-28-17/h4-5,9-10,14-16,19,25-26H,2-3,6H2,1H3,(H,24,27)
InChIKeyJGXMZTXDWYSRMM-UHFFFAOYSA-N
XLogP2.31
TPSA113.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-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
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-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-[6-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl]pyridine-2-carboxamide
CID 165436778
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-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-3,4,6-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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C#N)cnc1C(=O)NC1CCC2NNC(c3cc(C#N)cs3)C2C1.
What is the InChIKey of 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?
The InChIKey is JGXMZTXDWYSRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-11-4-12(7-21)9-23-18(11)20(27)24-14-2-3-16-15(6-14)19(26-25-16)17-5-13(8-22)10-28-17/h4-5,9-10,14-16,19,25-26H,2-3,6H2,1H3,(H,24,27).
What are the key properties of 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?
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 has a molecular weight of 392.49 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165436835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).