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

C27H32BrN5O4S — CID 56963343

IUPAC2-(4-bromophenyl)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)C3CCC3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C27H32BrN5O4S/c1-29-27(35)25-22-15-21(17-7-8-17)24(16-23(22)31-33(25)20-11-9-19(28)10-12-20)32(38(2,36)37)14-4-13-30-26(34)18-5-3-6-18/h9-12,15-18H,3-8,13-14H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyOQZURKZHRBUEEO-UHFFFAOYSA-N
MW602.56 g/mol
LogP4.10
Rot. Bonds10

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

2-(4-bromophenyl)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide (PubChem CID 56963343) has the molecular formula C27H32BrN5O4S and a molecular weight of 602.56 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide
PubChem CID56963343
Molecular FormulaC27H32BrN5O4S
Molecular Weight602.56 g/mol
Exact Mass601.14
IUPAC Name2-(4-bromophenyl)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)C3CCC3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C27H32BrN5O4S/c1-29-27(35)25-22-15-21(17-7-8-17)24(16-23(22)31-33(25)20-11-9-19(28)10-12-20)32(38(2,36)37)14-4-13-30-26(34)18-5-3-6-18/h9-12,15-18H,3-8,13-14H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyOQZURKZHRBUEEO-UHFFFAOYSA-N
XLogP4.10
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.56
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-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)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide (CID 56963343) is 2-(4-bromophenyl)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide is CNC(=O)c1c2cc(C3CC3)c(N(CCCNC(=O)C3CCC3)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide?
The InChIKey is OQZURKZHRBUEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32BrN5O4S/c1-29-27(35)25-22-15-21(17-7-8-17)24(16-23(22)31-33(25)20-11-9-19(28)10-12-20)32(38(2,36)37)14-4-13-30-26(34)18-5-3-6-18/h9-12,15-18H,3-8,13-14H2,1-2H3,(H,29,35)(H,30,34).
What are the key properties of 2-(4-bromophenyl)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide?
2-(4-bromophenyl)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide has a molecular weight of 602.56 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-[3-(cyclobutanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide is sourced from PubChem (CID 56963343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).