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

C29H31N5O3S — CID 122546793

IUPAC5-(4-methyl-1H-indazol-5-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4ccc5[nH]ncc5c4C)ccc32)cc1
InChIInChI=1S/C29H31N5O3S/c1-19-23(10-11-26-24(19)17-32-33-26)21-7-12-27-25(15-21)29(13-3-4-14-29)18-34(27)28(35)31-16-20-5-8-22(9-6-20)38(36,37)30-2/h5-12,15,17,30H,3-4,13-14,16,18H2,1-2H3,(H,31,35)(H,32,33)
InChIKeyXHFVAJJOXQVMJO-UHFFFAOYSA-N
MW529.67 g/mol
LogP4.99
Rot. Bonds5

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

5-(4-methyl-1H-indazol-5-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (PubChem CID 122546793) has the molecular formula C29H31N5O3S and a molecular weight of 529.67 g/mol. Its IUPAC name is 5-(4-methyl-1H-indazol-5-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.

Molecular Properties

Compound Name5-(4-methyl-1H-indazol-5-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
PubChem CID122546793
Molecular FormulaC29H31N5O3S
Molecular Weight529.67 g/mol
Exact Mass529.21
IUPAC Name5-(4-methyl-1H-indazol-5-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4ccc5[nH]ncc5c4C)ccc32)cc1
InChIInChI=1S/C29H31N5O3S/c1-19-23(10-11-26-24(19)17-32-33-26)21-7-12-27-25(15-21)29(13-3-4-14-29)18-34(27)28(35)31-16-20-5-8-22(9-6-20)38(36,37)30-2/h5-12,15,17,30H,3-4,13-14,16,18H2,1-2H3,(H,31,35)(H,32,33)
InChIKeyXHFVAJJOXQVMJO-UHFFFAOYSA-N
XLogP4.99
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.67
LogP ≤ 54.99
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-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The IUPAC name of 5-(4-methyl-1H-indazol-5-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide (CID 122546793) is 5-(4-methyl-1H-indazol-5-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide.
What is the SMILES notation for 5-(4-methyl-1H-indazol-5-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The canonical SMILES for 5-(4-methyl-1H-indazol-5-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is CNS(=O)(=O)c1ccc(CNC(=O)N2CC3(CCCC3)c3cc(-c4ccc5[nH]ncc5c4C)ccc32)cc1.
What is the InChIKey of 5-(4-methyl-1H-indazol-5-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
The InChIKey is XHFVAJJOXQVMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3S/c1-19-23(10-11-26-24(19)17-32-33-26)21-7-12-27-25(15-21)29(13-3-4-14-29)18-34(27)28(35)31-16-20-5-8-22(9-6-20)38(36,37)30-2/h5-12,15,17,30H,3-4,13-14,16,18H2,1-2H3,(H,31,35)(H,32,33).
What are the key properties of 5-(4-methyl-1H-indazol-5-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide?
5-(4-methyl-1H-indazol-5-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide has a molecular weight of 529.67 g/mol, XLogP of 4.99, 5 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-(methylsulfamoyl)phenyl]methyl]spiro[2H-indole-3,1'-cyclopentane]-1-carboxamide is sourced from PubChem (CID 122546793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).