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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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).