2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide

C22H21BrN4O2 — CID 67516838

IUPAC2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(N3CCCC3=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C22H21BrN4O2/c1-24-22(29)21-17-11-16(13-4-5-13)19(26-10-2-3-20(26)28)12-18(17)25-27(21)15-8-6-14(23)7-9-15/h6-9,11-13H,2-5,10H2,1H3,(H,24,29)
InChIKeyZFXSBGLIJVUIRY-UHFFFAOYSA-N
MW453.34 g/mol
LogP4.15
Rot. Bonds4

About 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide

2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide (PubChem CID 67516838) has the molecular formula C22H21BrN4O2 and a molecular weight of 453.34 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide
PubChem CID67516838
Molecular FormulaC22H21BrN4O2
Molecular Weight453.34 g/mol
Exact Mass452.08
IUPAC Name2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(N3CCCC3=O)cc2nn1-c1ccc(Br)cc1
InChIInChI=1S/C22H21BrN4O2/c1-24-22(29)21-17-11-16(13-4-5-13)19(26-10-2-3-20(26)28)12-18(17)25-27(21)15-8-6-14(23)7-9-15/h6-9,11-13H,2-5,10H2,1H3,(H,24,29)
InChIKeyZFXSBGLIJVUIRY-UHFFFAOYSA-N
XLogP4.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-5-cyclopropyl-6-(methanesulfinamido)-N-methylindazole-3-carboxamide
CID 67962376
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]indazole-3-carboxamide
CID 56962453
6-[2-bromoethyl(methylsulfonyl)amino]-2-(4-chlorophenyl)-5-cyclopropyl-N-methylindazole-3-carboxamide
CID 86699003
1-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfonylamino]propan-2-ylcarbamoyl cyclopentanecarboxylate
CID 87428229
4-[[2-(4-bromophenyl)-5-cyclopropyl-3-(methylcarbamoyl)indazol-6-yl]-methylsulfinylamino]butanoyloxymethyl 2,2-dimethylpropanoate
CID 69250415
2-(4-bromo-3-fluorophenyl)-5-cyclopropyl-6-(methanesulfonamido)-N-methylindazole-3-carboxamide
CID 56963170
5-cyclopropyl-2-(4-fluorophenyl)-6-[2-hydroxyethyl-[methyl(methylidene)-λ4-sulfanyl]amino]-N-methylindazole-3-carboxamide
CID 87753082
6-[3-aminopropyl(methylsulfonyl)amino]-2-(4-bromophenyl)-5-cyclopropyl-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-6-[3-(2-chloroethylcarbamoylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methylindazole-3-carboxamide;2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]indazole-3-carboxamide
CID 158795628
5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
CID 126487394
ethyl (E)-5-[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)indazol-6-yl]-5-methylsulfonylpent-2-enoate
CID 67775015
6-[3-(cyclopropanecarbonylamino)propyl-methylsulfonylamino]-5-cyclopropyl-N-methyl-2-(4-methylphenyl)indazole-3-carboxamide
CID 69252324
ethyl (5R)-5-[5-cyclopropyl-3-(methylcarbamoyl)-2-(4-methylphenyl)indazol-6-yl]-5-methylsulfonylpent-2-enoate
CID 67962384

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide (CID 67516838) is 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide is CNC(=O)c1c2cc(C3CC3)c(N3CCCC3=O)cc2nn1-c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide?
The InChIKey is ZFXSBGLIJVUIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O2/c1-24-22(29)21-17-11-16(13-4-5-13)19(26-10-2-3-20(26)28)12-18(17)25-27(21)15-8-6-14(23)7-9-15/h6-9,11-13H,2-5,10H2,1H3,(H,24,29).
What are the key properties of 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide?
2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide has a molecular weight of 453.34 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-cyclopropyl-N-methyl-6-(2-oxopyrrolidin-1-yl)indazole-3-carboxamide is sourced from PubChem (CID 67516838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).