N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide

C21H19FN6O — CID 162690801

IUPACN-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide
SMILESCc1cccc(-n2ncc3cc(C(=O)N[C@@H]4C[C@@H]5CC[C@H]4N5C#N)c(F)cc32)n1
InChIInChI=1S/C21H19FN6O/c1-12-3-2-4-20(25-12)28-19-9-16(22)15(7-13(19)10-24-28)21(29)26-17-8-14-5-6-18(17)27(14)11-23/h2-4,7,9-10,14,17-18H,5-6,8H2,1H3,(H,26,29)/t14-,17+,18+/m0/s1
InChIKeyHJVKVOQHCUYLPH-BMGDILEWSA-N
MW390.42 g/mol
LogP2.68
Rot. Bonds3

About N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide

N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide (PubChem CID 162690801) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide
PubChem CID162690801
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC NameN-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide
SMILESCc1cccc(-n2ncc3cc(C(=O)N[C@@H]4C[C@@H]5CC[C@H]4N5C#N)c(F)cc32)n1
InChIInChI=1S/C21H19FN6O/c1-12-3-2-4-20(25-12)28-19-9-16(22)15(7-13(19)10-24-28)21(29)26-17-8-14-5-6-18(17)27(14)11-23/h2-4,7,9-10,14,17-18H,5-6,8H2,1H3,(H,26,29)/t14-,17+,18+/m0/s1
InChIKeyHJVKVOQHCUYLPH-BMGDILEWSA-N
XLogP2.68
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide with MolForge

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Related Compounds

1-(6-acetamido-2-pyridinyl)-6-chloro-N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]indazole-5-carboxamide;N-(6-bromo-2-pyridinyl)acetamide;6-chloro-N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-1H-indazole-5-carboxamide;trans-(1R,2R)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 167636213
1-[6-(1,1-difluoroethyl)-2-pyridinyl]-N-[(1R,2R,4S)-7-[(4-methoxyphenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]indazole-5-carboxamide
CID 166027623
N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-3-methoxy-4-(1-methylpyrazol-4-yl)benzamide
CID 162690629
N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-2-[6-(1-cyanocyclopropyl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole-5-carboxamide
CID 167339622
2-chloro-N-(8-cyano-8-azabicyclo[3.2.1]octan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide
CID 166027533
N-[(1S,2S,4R)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-3-(2-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 162481849
phenyl 2-[[(2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]amino]-2-oxoacetate
CID 166027513
2-chloro-N-[(1R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)benzamide
CID 167339584
1-(2-fluorophenyl)-2,5-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 86964132
2-[(2-fluorobenzoyl)amino]-3-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]benzamide
CID 86964134
N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-3-(2-methylbutoxy)-4-(1-methylpyrazol-4-yl)benzamide
CID 166027524
6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile
CID 118664334

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide (CID 162690801) is N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide is Cc1cccc(-n2ncc3cc(C(=O)N[C@@H]4C[C@@H]5CC[C@H]4N5C#N)c(F)cc32)n1.
What is the InChIKey of N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide?
The InChIKey is HJVKVOQHCUYLPH-BMGDILEWSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-12-3-2-4-20(25-12)28-19-9-16(22)15(7-13(19)10-24-28)21(29)26-17-8-14-5-6-18(17)27(14)11-23/h2-4,7,9-10,14,17-18H,5-6,8H2,1H3,(H,26,29)/t14-,17+,18+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide?
N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(6-methyl-2-pyridinyl)indazole-5-carboxamide is sourced from PubChem (CID 162690801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).