N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide

C22H17BrFN3O — CID 53084695

IUPACN-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1ccc2cnn(Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C22H17BrFN3O/c23-19-3-1-2-16(10-19)12-25-22(28)17-6-7-18-13-26-27(21(18)11-17)14-15-4-8-20(24)9-5-15/h1-11,13H,12,14H2,(H,25,28)
InChIKeyCCBXFXWUKPFHPH-UHFFFAOYSA-N
MW438.30 g/mol
LogP4.92
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide

N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide (PubChem CID 53084695) has the molecular formula C22H17BrFN3O and a molecular weight of 438.30 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide
PubChem CID53084695
Molecular FormulaC22H17BrFN3O
Molecular Weight438.30 g/mol
Exact Mass437.05
IUPAC NameN-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1ccc2cnn(Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C22H17BrFN3O/c23-19-3-1-2-16(10-19)12-25-22(28)17-6-7-18-13-26-27(21(18)11-17)14-15-4-8-20(24)9-5-15/h1-11,13H,12,14H2,(H,25,28)
InChIKeyCCBXFXWUKPFHPH-UHFFFAOYSA-N
XLogP4.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.30
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide (CID 53084695) is N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide is O=C(NCc1cccc(Br)c1)c1ccc2cnn(Cc3ccc(F)cc3)c2c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide?
The InChIKey is CCBXFXWUKPFHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrFN3O/c23-19-3-1-2-16(10-19)12-25-22(28)17-6-7-18-13-26-27(21(18)11-17)14-15-4-8-20(24)9-5-15/h1-11,13H,12,14H2,(H,25,28).
What are the key properties of N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide?
N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide has a molecular weight of 438.30 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 53084695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).