1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide

C25H24FN3O — CID 95073148

IUPAC1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C25H24FN3O/c1-18(7-8-19-5-3-2-4-6-19)28-25(30)21-11-12-22-16-27-29(24(22)15-21)17-20-9-13-23(26)14-10-20/h2-6,9-16,18H,7-8,17H2,1H3,(H,28,30)/t18-/m1/s1
InChIKeyDBQDKBZYNBVDLT-GOSISDBHSA-N
MW401.49 g/mol
LogP4.97
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide

1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide (PubChem CID 95073148) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide
PubChem CID95073148
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C25H24FN3O/c1-18(7-8-19-5-3-2-4-6-19)28-25(30)21-11-12-22-16-27-29(24(22)15-21)17-20-9-13-23(26)14-10-20/h2-6,9-16,18H,7-8,17H2,1H3,(H,28,30)/t18-/m1/s1
InChIKeyDBQDKBZYNBVDLT-GOSISDBHSA-N
XLogP4.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide
CID 95073144
1-[(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)ethyl]indazole-6-carboxamide
CID 53084611
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide
CID 95073157
N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide
CID 53084695
N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95056034
1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide
CID 95073139
1-benzyl-6-fluoroindazole
CID 83414179
1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide
CID 53084634
1-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-ethylphenyl)ethyl]indazole-6-carboxamide
CID 95073114
2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide
CID 51157933
1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide
CID 53012805
4-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877121

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide (CID 95073148) is 1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide is C[C@H](CCc1ccccc1)NC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide?
The InChIKey is DBQDKBZYNBVDLT-GOSISDBHSA-N. The full InChI is InChI=1S/C25H24FN3O/c1-18(7-8-19-5-3-2-4-6-19)28-25(30)21-11-12-22-16-27-29(24(22)15-21)17-20-9-13-23(26)14-10-20/h2-6,9-16,18H,7-8,17H2,1H3,(H,28,30)/t18-/m1/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide is sourced from PubChem (CID 95073148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).