2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide

C23H28BrN5O5S2 — CID 67513187

IUPAC2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(N(CCCNS(C)(=O)=O)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C23H28BrN5O5S2/c1-25-23(30)22-19-13-18(15-5-6-15)21(28(36(3,33)34)12-4-11-26-35(2,31)32)14-20(19)27-29(22)17-9-7-16(24)8-10-17/h7-10,13-15,26H,4-6,11-12H2,1-3H3,(H,25,30)
InChIKeyMQYZNEPTELORCS-UHFFFAOYSA-N
MW598.55 g/mol
LogP2.73
Rot. Bonds10

About 2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide

2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide (PubChem CID 67513187) has the molecular formula C23H28BrN5O5S2 and a molecular weight of 598.55 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
PubChem CID67513187
Molecular FormulaC23H28BrN5O5S2
Molecular Weight598.55 g/mol
Exact Mass597.07
IUPAC Name2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(N(CCCNS(C)(=O)=O)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C23H28BrN5O5S2/c1-25-23(30)22-19-13-18(15-5-6-15)21(28(36(3,33)34)12-4-11-26-35(2,31)32)14-20(19)27-29(22)17-9-7-16(24)8-10-17/h7-10,13-15,26H,4-6,11-12H2,1-3H3,(H,25,30)
InChIKeyMQYZNEPTELORCS-UHFFFAOYSA-N
XLogP2.73
TPSA130.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.55
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide (CID 67513187) is 2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide is CNC(=O)c1c2cc(C3CC3)c(N(CCCNS(C)(=O)=O)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide?
The InChIKey is MQYZNEPTELORCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN5O5S2/c1-25-23(30)22-19-13-18(15-5-6-15)21(28(36(3,33)34)12-4-11-26-35(2,31)32)14-20(19)27-29(22)17-9-7-16(24)8-10-17/h7-10,13-15,26H,4-6,11-12H2,1-3H3,(H,25,30).
What are the key properties of 2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide?
2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide has a molecular weight of 598.55 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-cyclopropyl-6-[3-(methanesulfonamido)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide is sourced from PubChem (CID 67513187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).