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

C20H21FN6O2 — CID 165436870

IUPAC2-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
SMILESCOc1cc(C2NNC3CCC(NC(=O)c4ccnc(C#N)c4F)CC32)ccn1
InChIInChI=1S/C20H21FN6O2/c1-29-17-8-11(4-6-24-17)19-14-9-12(2-3-15(14)26-27-19)25-20(28)13-5-7-23-16(10-22)18(13)21/h4-8,12,14-15,19,26-27H,2-3,9H2,1H3,(H,25,28)
InChIKeyXHUPRKOLKNFAAC-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.61
Rot. Bonds4

About 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

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 (PubChem CID 165436870) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID165436870
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name2-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
SMILESCOc1cc(C2NNC3CCC(NC(=O)c4ccnc(C#N)c4F)CC32)ccn1
InChIInChI=1S/C20H21FN6O2/c1-29-17-8-11(4-6-24-17)19-14-9-12(2-3-15(14)26-27-19)25-20(28)13-5-7-23-16(10-22)18(13)21/h4-8,12,14-15,19,26-27H,2-3,9H2,1H3,(H,25,28)
InChIKeyXHUPRKOLKNFAAC-UHFFFAOYSA-N
XLogP1.61
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-pyridazin-4-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)pyridine-2-carboxamide
CID 165436956
3-(2-methoxy-4-pyridinyl)-5-nitro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole
CID 76847904
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
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970715
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-[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-[(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
N-(3,4-dimethylcyclohexyl)-2,3-difluoropyridine-4-carboxamide
CID 105381302
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C2NNC3CCC(NC(=O)c4ccnc(C#N)c4F)CC32)ccn1.
What is the InChIKey of 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?
The InChIKey is XHUPRKOLKNFAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-29-17-8-11(4-6-24-17)19-14-9-12(2-3-15(14)26-27-19)25-20(28)13-5-7-23-16(10-22)18(13)21/h4-8,12,14-15,19,26-27H,2-3,9H2,1H3,(H,25,28).
What are the key properties of 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?
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 has a molecular weight of 396.43 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165436870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).