2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide

C22H22BrF3N4O3S — CID 56962775

IUPAC2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(N(CCC(F)(F)F)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C22H22BrF3N4O3S/c1-27-21(31)20-17-11-16(13-3-4-13)19(29(34(2,32)33)10-9-22(24,25)26)12-18(17)28-30(20)15-7-5-14(23)6-8-15/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,27,31)
InChIKeyQOAPWZVPHDLBOT-UHFFFAOYSA-N
MW559.41 g/mol
LogP4.74
Rot. Bonds7

About 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide

2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide (PubChem CID 56962775) has the molecular formula C22H22BrF3N4O3S and a molecular weight of 559.41 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide
PubChem CID56962775
Molecular FormulaC22H22BrF3N4O3S
Molecular Weight559.41 g/mol
Exact Mass558.05
IUPAC Name2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(N(CCC(F)(F)F)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C22H22BrF3N4O3S/c1-27-21(31)20-17-11-16(13-3-4-13)19(29(34(2,32)33)10-9-22(24,25)26)12-18(17)28-30(20)15-7-5-14(23)6-8-15/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,27,31)
InChIKeyQOAPWZVPHDLBOT-UHFFFAOYSA-N
XLogP4.74
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-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-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide (CID 56962775) is 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide is CNC(=O)c1c2cc(C3CC3)c(N(CCC(F)(F)F)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide?
The InChIKey is QOAPWZVPHDLBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrF3N4O3S/c1-27-21(31)20-17-11-16(13-3-4-13)19(29(34(2,32)33)10-9-22(24,25)26)12-18(17)28-30(20)15-7-5-14(23)6-8-15/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,27,31).
What are the key properties of 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide?
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide has a molecular weight of 559.41 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl(3,3,3-trifluoropropyl)amino]indazole-3-carboxamide is sourced from PubChem (CID 56962775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).