1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide

C24H19F4N3O — CID 66917064

IUPAC1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESCc1cc(Cn2ncc3c(C(=O)NCc4cccc(C(F)(F)F)c4)cccc32)ccc1F
InChIInChI=1S/C24H19F4N3O/c1-15-10-17(8-9-21(15)25)14-31-22-7-3-6-19(20(22)13-30-31)23(32)29-12-16-4-2-5-18(11-16)24(26,27)28/h2-11,13H,12,14H2,1H3,(H,29,32)
InChIKeyYUTUALGYGGXXKM-UHFFFAOYSA-N
MW441.43 g/mol
LogP5.48
Rot. Bonds5

About 1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide

1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (PubChem CID 66917064) has the molecular formula C24H19F4N3O and a molecular weight of 441.43 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
PubChem CID66917064
Molecular FormulaC24H19F4N3O
Molecular Weight441.43 g/mol
Exact Mass441.15
IUPAC Name1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
SMILESCc1cc(Cn2ncc3c(C(=O)NCc4cccc(C(F)(F)F)c4)cccc32)ccc1F
InChIInChI=1S/C24H19F4N3O/c1-15-10-17(8-9-21(15)25)14-31-22-7-3-6-19(20(22)13-30-31)23(32)29-12-16-4-2-5-18(11-16)24(26,27)28/h2-11,13H,12,14H2,1H3,(H,29,32)
InChIKeyYUTUALGYGGXXKM-UHFFFAOYSA-N
XLogP5.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.43
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-4-yl]benzamide
CID 168967958
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327
5-amino-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 43337163
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
1-methyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrazole-4-carboxylic acid
CID 29095638
(Z)-1-(1-phenylindazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-1-en-1-amine
CID 70952330
1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 52932654
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
5-cyano-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 70503319
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162886

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide (CID 66917064) is 1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The canonical SMILES for 1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is Cc1cc(Cn2ncc3c(C(=O)NCc4cccc(C(F)(F)F)c4)cccc32)ccc1F.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
The InChIKey is YUTUALGYGGXXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O/c1-15-10-17(8-9-21(15)25)14-31-22-7-3-6-19(20(22)13-30-31)23(32)29-12-16-4-2-5-18(11-16)24(26,27)28/h2-11,13H,12,14H2,1H3,(H,29,32).
What are the key properties of 1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide?
1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide has a molecular weight of 441.43 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide is sourced from PubChem (CID 66917064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).