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

C20H21BrN4O3S — CID 67517433

IUPAC2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(N(C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C20H21BrN4O3S/c1-22-20(26)19-16-10-15(12-4-5-12)18(24(2)29(3,27)28)11-17(16)23-25(19)14-8-6-13(21)7-9-14/h6-12H,4-5H2,1-3H3,(H,22,26)
InChIKeyWNHZRNGIHSKSCU-UHFFFAOYSA-N
MW477.38 g/mol
LogP3.42
Rot. Bonds5

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

2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide (PubChem CID 67517433) has the molecular formula C20H21BrN4O3S and a molecular weight of 477.38 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide
PubChem CID67517433
Molecular FormulaC20H21BrN4O3S
Molecular Weight477.38 g/mol
Exact Mass476.05
IUPAC Name2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(N(C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C20H21BrN4O3S/c1-22-20(26)19-16-10-15(12-4-5-12)18(24(2)29(3,27)28)11-17(16)23-25(19)14-8-6-13(21)7-9-14/h6-12H,4-5H2,1-3H3,(H,22,26)
InChIKeyWNHZRNGIHSKSCU-UHFFFAOYSA-N
XLogP3.42
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide (CID 67517433) is 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide is CNC(=O)c1c2cc(C3CC3)c(N(C)S(C)(=O)=O)cc2nn1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide?
The InChIKey is WNHZRNGIHSKSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O3S/c1-22-20(26)19-16-10-15(12-4-5-12)18(24(2)29(3,27)28)11-17(16)23-25(19)14-8-6-13(21)7-9-14/h6-12H,4-5H2,1-3H3,(H,22,26).
What are the key properties of 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide?
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide has a molecular weight of 477.38 g/mol, XLogP of 3.42, 5 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-[methyl(methylsulfonyl)amino]indazole-3-carboxamide is sourced from PubChem (CID 67517433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).