1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide

C24H19F4N3O2 — CID 166634084

IUPAC1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(cnn3Cc3cccc(F)c3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C24H19F4N3O2/c1-33-20-7-5-17(21(11-20)24(26,27)28)12-29-23(32)16-6-8-22-18(10-16)13-30-31(22)14-15-3-2-4-19(25)9-15/h2-11,13H,12,14H2,1H3,(H,29,32)
InChIKeyWVBOZPAZZRCIEN-UHFFFAOYSA-N
MW457.43 g/mol
LogP5.18
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide

1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide (PubChem CID 166634084) has the molecular formula C24H19F4N3O2 and a molecular weight of 457.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide
PubChem CID166634084
Molecular FormulaC24H19F4N3O2
Molecular Weight457.43 g/mol
Exact Mass457.14
IUPAC Name1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(cnn3Cc3cccc(F)c3)c2)c(C(F)(F)F)c1
InChIInChI=1S/C24H19F4N3O2/c1-33-20-7-5-17(21(11-20)24(26,27)28)12-29-23(32)16-6-8-22-18(10-16)13-30-31(22)14-15-3-2-4-19(25)9-15/h2-11,13H,12,14H2,1H3,(H,29,32)
InChIKeyWVBOZPAZZRCIEN-UHFFFAOYSA-N
XLogP5.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.43
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5Z)-5-({1-[4-methoxy-2-(trifluoromethyl)benzyl]-1H-indazol-5-yl}methylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]cyclohexanecarboxylic acid
CID 58530759
4-[4-fluoro-3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888943
3-[[4-[(1S)-1-[4-methoxy-5-[2-methyl-4-(trifluoromethyl)phenyl]indazol-1-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
CID 134304088
2-butyl-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide
CID 11958829
N-[(4-ethoxyphenyl)methyl]-5-(5-methyl-1H-indazol-1-yl)-5-oxopentanamide
CID 22510410
3-[[4-[1-[5-(4-Methoxyphenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]indazol-1-yl]butyl]benzoyl]amino]propanoic acid
CID 122189569
3-[[4-[3-Methyl-1-[5-[4-(trifluoromethoxy)phenyl]indazol-1-yl]butyl]benzoyl]amino]propanoic acid
CID 155541176
6-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]isoquinolin-1-one
CID 156014825
6-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]phthalazin-1-one
CID 156019268
1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 166630877
3-[[4-[(1R)-1-[4-methoxy-5-[2-methyl-4-(trifluoromethyl)phenyl]indazol-1-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
CID 134304075
1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide
CID 50897568

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide (CID 166634084) is 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide is COc1ccc(CNC(=O)c2ccc3c(cnn3Cc3cccc(F)c3)c2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide?
The InChIKey is WVBOZPAZZRCIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O2/c1-33-20-7-5-17(21(11-20)24(26,27)28)12-29-23(32)16-6-8-22-18(10-16)13-30-31(22)14-15-3-2-4-19(25)9-15/h2-11,13H,12,14H2,1H3,(H,29,32).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide?
1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide has a molecular weight of 457.43 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide is sourced from PubChem (CID 166634084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).