2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide

C19H18BrFN4O3S — CID 56963170

IUPAC2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(NS(C)(=O)=O)cc2nn1-c1ccc(Br)c(F)c1
InChIInChI=1S/C19H18BrFN4O3S/c1-22-19(26)18-13-8-12(10-3-4-10)17(24-29(2,27)28)9-16(13)23-25(18)11-5-6-14(20)15(21)7-11/h5-10,24H,3-4H2,1-2H3,(H,22,26)
InChIKeyUKQGZSCSEBOUQM-UHFFFAOYSA-N
MW481.35 g/mol
LogP3.54
Rot. Bonds5

About 2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide

2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide (PubChem CID 56963170) has the molecular formula C19H18BrFN4O3S and a molecular weight of 481.35 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide
PubChem CID56963170
Molecular FormulaC19H18BrFN4O3S
Molecular Weight481.35 g/mol
Exact Mass480.03
IUPAC Name2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(NS(C)(=O)=O)cc2nn1-c1ccc(Br)c(F)c1
InChIInChI=1S/C19H18BrFN4O3S/c1-22-19(26)18-13-8-12(10-3-4-10)17(24-29(2,27)28)9-16(13)23-25(18)11-5-6-14(20)15(21)7-11/h5-10,24H,3-4H2,1-2H3,(H,22,26)
InChIKeyUKQGZSCSEBOUQM-UHFFFAOYSA-N
XLogP3.54
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 56952017
Ethyl 4-[3-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]propylamino]-4-oxobutanoate
CID 56962450
6-[3-benzamidopropyl(methylsulfonyl)amino]-2-(4-bromophenyl)-5-cyclopropyl-N-methylindazole-3-carboxamide
CID 56962451
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]indazole-3-carboxamide
CID 56962453
trans-methyl (1S,2S)-2-[3-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]propylcarbamoyl]cyclopentane-1-carboxylate
CID 56962613
2-(4-bromophenyl)-5-cyclopropyl-6-[3-hydroxypropyl(methylsulfonyl)amino]-N-methyl-indazole-3-carboxamide
CID 56962769
5-cyclopropyl-2-{4-[(2-fluorophenyl)amino]phenyl}-6-[(3-hydroxypropyl)(methylsulfonyl)amino]-N-methyl-2H-indazole-3-carboxamide
CID 56962770
5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[4-(4-fluoroanilino)phenyl]-N-methylindazole-3-carboxamide
CID 56962929
4-Bromophenyl-6-[{3-[(cyclobutylcarbonyl)amino]propyl}(methylsulfonyl)amino]-5-cyclopropyl-N-methyl-2H-indazole-3-carboxamide
CID 56963343
6-[3-acetamidopropyl(methylsulfonyl)amino]-5-cyclopropyl-2-[4-(4-fluoroanilino)phenyl]-N-methylindazole-3-carboxamide
CID 56963612
N-[3-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]propyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 67512351
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[3-methylsulfanylpropyl(methylsulfonyl)amino]indazole-3-carboxamide
CID 67512516

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide (CID 56963170) is 2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide is CNC(=O)c1c2cc(C3CC3)c(NS(C)(=O)=O)cc2nn1-c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide?
The InChIKey is UKQGZSCSEBOUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN4O3S/c1-22-19(26)18-13-8-12(10-3-4-10)17(24-29(2,27)28)9-16(13)23-25(18)11-5-6-14(20)15(21)7-11/h5-10,24H,3-4H2,1-2H3,(H,22,26).
What are the key properties of 2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide?
2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide has a molecular weight of 481.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide is sourced from PubChem (CID 56963170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).