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

C28H29N5O3S — CID 134548954

IUPAC5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCc1c(-c2ccc3c(c2)C2(CCCC2)CN3C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc2[nH]ncc12
InChIInChI=1S/C28H29N5O3S/c1-18-22(9-10-25-23(18)16-31-32-25)20-6-11-26-24(14-20)28(12-2-3-13-28)17-33(26)27(34)30-15-19-4-7-21(8-5-19)37(29,35)36/h4-11,14,16H,2-3,12-13,15,17H2,1H3,(H,30,34)(H,31,32)(H2,29,35,36)
InChIKeyZRQCLPCFEDACCE-UHFFFAOYSA-N
MW515.64 g/mol
LogP4.73
Rot. Bonds4

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

5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (PubChem CID 134548954) has the molecular formula C28H29N5O3S and a molecular weight of 515.64 g/mol. Its IUPAC name is 5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound Name5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
PubChem CID134548954
Molecular FormulaC28H29N5O3S
Molecular Weight515.64 g/mol
Exact Mass515.20
IUPAC Name5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCc1c(-c2ccc3c(c2)C2(CCCC2)CN3C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc2[nH]ncc12
InChIInChI=1S/C28H29N5O3S/c1-18-22(9-10-25-23(18)16-31-32-25)20-6-11-26-24(14-20)28(12-2-3-13-28)17-33(26)27(34)30-15-19-4-7-21(8-5-19)37(29,35)36/h4-11,14,16H,2-3,12-13,15,17H2,1H3,(H,30,34)(H,31,32)(H2,29,35,36)
InChIKeyZRQCLPCFEDACCE-UHFFFAOYSA-N
XLogP4.73
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The IUPAC name of 5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (CID 134548954) is 5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for 5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for 5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is Cc1c(-c2ccc3c(c2)C2(CCCC2)CN3C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc2[nH]ncc12.
What is the InChIKey of 5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The InChIKey is ZRQCLPCFEDACCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3S/c1-18-22(9-10-25-23(18)16-31-32-25)20-6-11-26-24(14-20)28(12-2-3-13-28)17-33(26)27(34)30-15-19-4-7-21(8-5-19)37(29,35)36/h4-11,14,16H,2-3,12-13,15,17H2,1H3,(H,30,34)(H,31,32)(H2,29,35,36).
What are the key properties of 5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 515.64 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1H-indazol-5-yl)-N-[(4-sulfamoylphenyl)methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 134548954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).