1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide

C21H21BrClN3O — CID 170309451

IUPAC1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Cl)cc2cnn(Cc3ccc(Br)cc3)c12
InChIInChI=1S/C21H21BrClN3O/c22-16-8-6-14(7-9-16)13-26-20-15(12-24-26)10-17(23)11-19(20)21(27)25-18-4-2-1-3-5-18/h6-12,18H,1-5,13H2,(H,25,27)
InChIKeyFNCVSWTWZSZWMT-UHFFFAOYSA-N
MW446.78 g/mol
LogP5.56
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide

1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide (PubChem CID 170309451) has the molecular formula C21H21BrClN3O and a molecular weight of 446.78 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide
PubChem CID170309451
Molecular FormulaC21H21BrClN3O
Molecular Weight446.78 g/mol
Exact Mass445.06
IUPAC Name1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Cl)cc2cnn(Cc3ccc(Br)cc3)c12
InChIInChI=1S/C21H21BrClN3O/c22-16-8-6-14(7-9-16)13-26-20-15(12-24-26)10-17(23)11-19(20)21(27)25-18-4-2-1-3-5-18/h6-12,18H,1-5,13H2,(H,25,27)
InChIKeyFNCVSWTWZSZWMT-UHFFFAOYSA-N
XLogP5.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.78
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[1-[(4-bromo-2-fluorophenyl)methyl]-5-chloroindazole-7-carbonyl]amino]cyclohexane-1-carboxylate
CID 146206006
1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide
CID 53034337
2-[4-[[5-chloro-1-[(3-fluoro-4-phenylphenyl)methyl]indazole-7-carbonyl]amino]cyclohexyl]acetic acid
CID 146187989
2-[4-[[5-chloro-1-[[5-(4-fluorophenyl)pyrazin-2-yl]methyl]indazole-7-carbonyl]amino]cyclohexyl]acetic acid
CID 167254440
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
5-bromo-2-chloro-N-cyclopentylbenzamide
CID 2953820
2-(6-chloroindazol-1-yl)-N-cyclohexylacetamide
CID 22510003
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
5-chloro-1-[(2-phenylpyrimidin-5-yl)methyl]indazole-7-carboxylic acid
CID 166161853
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
2-[2-[[5-chloro-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]indazole-7-carbonyl]amino]spiro[3.3]heptan-6-yl]acetic acid
CID 175810036

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide?
The IUPAC name of 1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide (CID 170309451) is 1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide is O=C(NC1CCCCC1)c1cc(Cl)cc2cnn(Cc3ccc(Br)cc3)c12.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide?
The InChIKey is FNCVSWTWZSZWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrClN3O/c22-16-8-6-14(7-9-16)13-26-20-15(12-24-26)10-17(23)11-19(20)21(27)25-18-4-2-1-3-5-18/h6-12,18H,1-5,13H2,(H,25,27).
What are the key properties of 1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide?
1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide has a molecular weight of 446.78 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-5-chloro-N-cyclohexylindazole-7-carboxamide is sourced from PubChem (CID 170309451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).