6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide

C20H20BrN3O2 — CID 139593036

IUPAC6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(Br)cc3c2cnn3C2CCCC2)c1
InChIInChI=1S/C20H20BrN3O2/c1-26-16-8-4-5-14(11-16)23-20(25)17-9-13(21)10-19-18(17)12-22-24(19)15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,23,25)
InChIKeyOKHXPSKWEMGOQM-UHFFFAOYSA-N
MW414.30 g/mol
LogP5.17
Rot. Bonds4

About 6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide

6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide (PubChem CID 139593036) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide.

Molecular Properties

Compound Name6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide
PubChem CID139593036
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(Br)cc3c2cnn3C2CCCC2)c1
InChIInChI=1S/C20H20BrN3O2/c1-26-16-8-4-5-14(11-16)23-20(25)17-9-13(21)10-19-18(17)12-22-24(19)15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,23,25)
InChIKeyOKHXPSKWEMGOQM-UHFFFAOYSA-N
XLogP5.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.30
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-5-yl)-6-bromo-1-cyclopentylindazole-4-carboxamide
CID 139593051
6-bromo-1-methyl-N-phenylindazole-4-carboxamide
CID 162529243
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733
3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058
4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19623911
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
6-bromo-N-(3-methoxyphenyl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19646657
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
2-chloro-N-(3-methoxyphenyl)-4-methylbenzamide
CID 886020
N-(3-methoxyphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809038
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109239626

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide?
The IUPAC name of 6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide (CID 139593036) is 6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide.
What is the SMILES notation for 6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide?
The canonical SMILES for 6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide is COc1cccc(NC(=O)c2cc(Br)cc3c2cnn3C2CCCC2)c1.
What is the InChIKey of 6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide?
The InChIKey is OKHXPSKWEMGOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-26-16-8-4-5-14(11-16)23-20(25)17-9-13(21)10-19-18(17)12-22-24(19)15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7H2,1H3,(H,23,25).
What are the key properties of 6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide?
6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide has a molecular weight of 414.30 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-cyclopentyl-N-(3-methoxyphenyl)indazole-4-carboxamide is sourced from PubChem (CID 139593036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).