5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

C29H31N5O3S — CID 134549120

IUPAC5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCc1cc2cnn(C)c2cc1-c1ccc2c(c1)C1(CCCC1)CN2C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C29H31N5O3S/c1-19-13-22-17-32-33(2)27(22)15-24(19)21-7-10-26-25(14-21)29(11-3-4-12-29)18-34(26)28(35)31-16-20-5-8-23(9-6-20)38(30,36)37/h5-10,13-15,17H,3-4,11-12,16,18H2,1-2H3,(H,31,35)(H2,30,36,37)
InChIKeyCZLCDANKVCVKPH-UHFFFAOYSA-N
MW529.67 g/mol
LogP4.74
Rot. Bonds4

About 5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide

5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (PubChem CID 134549120) has the molecular formula C29H31N5O3S and a molecular weight of 529.67 g/mol. Its IUPAC name is 5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound Name5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
PubChem CID134549120
Molecular FormulaC29H31N5O3S
Molecular Weight529.67 g/mol
Exact Mass529.21
IUPAC Name5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCc1cc2cnn(C)c2cc1-c1ccc2c(c1)C1(CCCC1)CN2C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C29H31N5O3S/c1-19-13-22-17-32-33(2)27(22)15-24(19)21-7-10-26-25(14-21)29(11-3-4-12-29)18-34(26)28(35)31-16-20-5-8-23(9-6-20)38(30,36)37/h5-10,13-15,17H,3-4,11-12,16,18H2,1-2H3,(H,31,35)(H2,30,36,37)
InChIKeyCZLCDANKVCVKPH-UHFFFAOYSA-N
XLogP4.74
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.67
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 134549160
5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 134548954
5-(4-amino-2-ethylphenyl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 134549217
5-[5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylphenyl]-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 122545399
N-[(4-aminosulfanylphenyl)methyl]-5-(2-methylphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 134549096
5-(4-methyl-1H-indazol-5-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 122546793
N-[(4-ethylsulfonylphenyl)methyl]-5-(2-methoxyphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 147032168
5-(2-cyano-4-methylphenyl)-N-[(4-ethylsulfonylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 122545403
5-[5-fluoro-2-(trifluoromethyl)phenyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 122545347
N-[(4-ethylsulfonylphenyl)methyl]-5-(4-fluoro-2-methylphenyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,1'-cyclopentane]-1-carboxamide
CID 90645726
N-[[4-(methylsulfamoyl)phenyl]methyl]-5-(3-pyrrolidin-1-ylphenyl)spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
CID 122545368
ethyl 4-fluoro-2-[1-[(4-sulfanylphenyl)methylcarbamoyl]spiro[2H-indole-3,1'-cyclopentane]-5-yl]benzoate
CID 134549311

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The IUPAC name of 5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (CID 134549120) is 5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for 5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for 5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is Cc1cc2cnn(C)c2cc1-c1ccc2c(c1)C1(CCCC1)CN2C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The InChIKey is CZLCDANKVCVKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3S/c1-19-13-22-17-32-33(2)27(22)15-24(19)21-7-10-26-25(14-21)29(11-3-4-12-29)18-34(26)28(35)31-16-20-5-8-23(9-6-20)38(30,36)37/h5-10,13-15,17H,3-4,11-12,16,18H2,1-2H3,(H,31,35)(H2,30,36,37).
What are the key properties of 5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 529.67 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylindazol-6-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 134549120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).