2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide

C19H19BrN4O2S — CID 67962376

IUPAC2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(NS(C)=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C19H19BrN4O2S/c1-21-19(25)18-15-9-14(11-3-4-11)17(23-27(2)26)10-16(15)22-24(18)13-7-5-12(20)6-8-13/h5-11,23H,3-4H2,1-2H3,(H,21,25)
InChIKeySSOVXXQPWVYOIE-UHFFFAOYSA-N
MW447.36 g/mol
LogP3.73
Rot. Bonds5

About 2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide

2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide (PubChem CID 67962376) has the molecular formula C19H19BrN4O2S and a molecular weight of 447.36 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide
PubChem CID67962376
Molecular FormulaC19H19BrN4O2S
Molecular Weight447.36 g/mol
Exact Mass446.04
IUPAC Name2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(NS(C)=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C19H19BrN4O2S/c1-21-19(25)18-15-9-14(11-3-4-11)17(23-27(2)26)10-16(15)22-24(18)13-7-5-12(20)6-8-13/h5-11,23H,3-4H2,1-2H3,(H,21,25)
InChIKeySSOVXXQPWVYOIE-UHFFFAOYSA-N
XLogP3.73
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide
CID 67516838
2-(4-bromophenyl)-5-cyclopropyl-6-[ethyl(trifluoromethylsulfonyl)amino]-N-methylindazole-3-carboxamide
CID 56962854
2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide
CID 56963170
4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfinylamino]butanoyloxymethyl 2,2-dimethylpropanoate
CID 69250415
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]indazole-3-carboxamide
CID 56962453
2-(4-bromophenyl)-5-cyclopropyl-6-[3-(3-methoxypropanoylamino)propyl-methylsulfonylamino]-N-methylindazole-3-carboxamide
CID 69250184
5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide
CID 87753082
1-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]propan-2-ylcarbamoyl cyclopentanecarboxylate
CID 87428229
6-[2-bromoethyl(methylsulfonyl)amino]-2-(4-chlorophenyl)-5-cyclopropyl-N-methylindazole-3-carboxamide
CID 86699003
tert-butyl N-[3-[3-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]propylamino]-3-oxopropyl]carbamate
CID 67962379
5-cyclopropyl-6-[ethyl(methylsulfonyl)amino]-2-[4-(4-fluoroanilino)phenyl]-N-methylindazole-3-carboxamide
CID 56962929
ethyl (E)-5-[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)indazol-6-yl]-5-methylsulfonylpent-2-enoate
CID 67775015

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide (CID 67962376) is 2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide is CNC(=O)c1c2cc(C3CC3)c(NS(C)=O)cc2nn1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide?
The InChIKey is SSOVXXQPWVYOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2S/c1-21-19(25)18-15-9-14(11-3-4-11)17(23-27(2)26)10-16(15)22-24(18)13-7-5-12(20)6-8-13/h5-11,23H,3-4H2,1-2H3,(H,21,25).
What are the key properties of 2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide?
2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide has a molecular weight of 447.36 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide is sourced from PubChem (CID 67962376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).