1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide

C23H20FN3O — CID 95073144

IUPAC1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide
SMILESC[C@H](NC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)c1ccccc1
InChIInChI=1S/C23H20FN3O/c1-16(18-5-3-2-4-6-18)26-23(28)19-9-10-20-14-25-27(22(20)13-19)15-17-7-11-21(24)12-8-17/h2-14,16H,15H2,1H3,(H,26,28)/t16-/m0/s1
InChIKeyHCEGCEVUGRWNBG-INIZCTEOSA-N
MW373.43 g/mol
LogP4.71
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide

1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide (PubChem CID 95073144) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide
PubChem CID95073144
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide
SMILESC[C@H](NC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)c1ccccc1
InChIInChI=1S/C23H20FN3O/c1-16(18-5-3-2-4-6-18)26-23(28)19-9-10-20-14-25-27(22(20)13-19)15-17-7-11-21(24)12-8-17/h2-14,16H,15H2,1H3,(H,26,28)/t16-/m0/s1
InChIKeyHCEGCEVUGRWNBG-INIZCTEOSA-N
XLogP4.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide
CID 95073148
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
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073129
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073124
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide
CID 95073206
4-[(1S)-1-[[1-[(6-fluoronaphthalen-2-yl)methyl]-5-phenylindazole-7-carbonyl]amino]ethyl]benzoic acid
CID 176772170
N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide
CID 53084695
1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 92538268
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073131

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide (CID 95073144) is 1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide is C[C@H](NC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)c1ccccc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide?
The InChIKey is HCEGCEVUGRWNBG-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-16(18-5-3-2-4-6-18)26-23(28)19-9-10-20-14-25-27(22(20)13-19)15-17-7-11-21(24)12-8-17/h2-14,16H,15H2,1H3,(H,26,28)/t16-/m0/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[(1S)-1-phenylethyl]indazole-6-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 4.71, 5 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-[(1S)-1-phenylethyl]indazole-6-carboxamide is sourced from PubChem (CID 95073144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).