6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide

C21H22BrN3O — CID 139593034

IUPAC6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide
SMILESCC(NC(=O)c1cc(Br)cc2c1cnn2C1CCCC1)c1ccccc1
InChIInChI=1S/C21H22BrN3O/c1-14(15-7-3-2-4-8-15)24-21(26)18-11-16(22)12-20-19(18)13-23-25(20)17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,24,26)
InChIKeyKLOLWFRBQXLGHD-UHFFFAOYSA-N
MW412.33 g/mol
LogP5.40
Rot. Bonds4

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

6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide (PubChem CID 139593034) has the molecular formula C21H22BrN3O and a molecular weight of 412.33 g/mol. Its IUPAC name is 6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide.

Molecular Properties

Compound Name6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide
PubChem CID139593034
Molecular FormulaC21H22BrN3O
Molecular Weight412.33 g/mol
Exact Mass411.09
IUPAC Name6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide
SMILESCC(NC(=O)c1cc(Br)cc2c1cnn2C1CCCC1)c1ccccc1
InChIInChI=1S/C21H22BrN3O/c1-14(15-7-3-2-4-8-15)24-21(26)18-11-16(22)12-20-19(18)13-23-25(20)17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,24,26)
InChIKeyKLOLWFRBQXLGHD-UHFFFAOYSA-N
XLogP5.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.33
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-(1-methylethyl)-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)methyl]-1H-indazole-4-carboxamide
CID 67465326
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-phenyl-1-propan-2-ylindazole-4-carboxamide
CID 155547840
6-(4-fluorophenyl)-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 155555991
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 68351101
1-[2-[[2-(3-Bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 130299849
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide
CID 127029641
N-benzyl-2-(5-bromoindazol-2-yl)benzamide
CID 137658823
N-[(1-benzyltriazol-4-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 168294324
6-bromo-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 76156802
1-cyclopentyl-6-[4-[(dimethylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 76156852
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 77426246
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-propan-2-ylindazole-4-carboxamide
CID 77464451

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide?
The IUPAC name of 6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide (CID 139593034) is 6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide.
What is the SMILES notation for 6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide?
The canonical SMILES for 6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide is CC(NC(=O)c1cc(Br)cc2c1cnn2C1CCCC1)c1ccccc1.
What is the InChIKey of 6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide?
The InChIKey is KLOLWFRBQXLGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O/c1-14(15-7-3-2-4-8-15)24-21(26)18-11-16(22)12-20-19(18)13-23-25(20)17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,24,26).
What are the key properties of 6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide?
6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide has a molecular weight of 412.33 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-cyclopentyl-N-(1-phenylethyl)indazole-4-carboxamide is sourced from PubChem (CID 139593034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).