1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone

C36H36Br2N6O2 — CID 158403901

IUPAC1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone
SMILESC[C@@H]1C[C@]1(CC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1.C[C@H]1C[C@@]1(CC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1
InChIInChI=1S/2C18H18BrN3O/c2*1-11-7-18(11,13-9-20-22(2)10-13)8-17(23)16-6-12-5-14(19)3-4-15(12)21-16/h2*3-6,9-11,21H,7-8H2,1-2H3/t2*11-,18-/m10/s1
InChIKeyGYKZRILTDSQYDO-IGMKCXDFSA-N
MW744.53 g/mol
LogP8.43
Rot. Bonds8

About 1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone

1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone (PubChem CID 158403901) has the molecular formula C36H36Br2N6O2 and a molecular weight of 744.53 g/mol. Its IUPAC name is 1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone
PubChem CID158403901
Molecular FormulaC36H36Br2N6O2
Molecular Weight744.53 g/mol
Exact Mass742.13
IUPAC Name1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone
SMILESC[C@@H]1C[C@]1(CC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1.C[C@H]1C[C@@]1(CC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1
InChIInChI=1S/2C18H18BrN3O/c2*1-11-7-18(11,13-9-20-22(2)10-13)8-17(23)16-6-12-5-14(19)3-4-15(12)21-16/h2*3-6,9-11,21H,7-8H2,1-2H3/t2*11-,18-/m10/s1
InChIKeyGYKZRILTDSQYDO-IGMKCXDFSA-N
XLogP8.43
TPSA101.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.53
LogP ≤ 58.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone with MolForge

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Related Compounds

5-bromo-7-fluoro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 140907594
5-bromo-N-[(1R,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 126714928
5-bromo-N-[(2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 146676659
5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 118425386
5-bromo-N-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 126714944
(3-benzyl-5-bromo-1H-indol-2-yl)-pyrazol-1-ylmethanone
CID 177854365
5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1H-indole-2-carboxamide
CID 118425373
5-bromo-7-methyl-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 126714907
5-bromo-7-methyl-N-[2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide
CID 126714908
5-bromo-N-[(1S,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 126714929
5-bromo-N-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide
CID 126714945
5-bromo-N-[(2S)-3-methyl-2-(1-methylpyrazol-4-yl)butan-2-yl]-1H-indole-2-carboxamide
CID 126714946

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone?
The IUPAC name of 1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone (CID 158403901) is 1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone.
What is the SMILES notation for 1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone?
The canonical SMILES for 1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone is C[C@@H]1C[C@]1(CC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1.C[C@H]1C[C@@]1(CC(=O)c1cc2cc(Br)ccc2[nH]1)c1cnn(C)c1.
What is the InChIKey of 1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone?
The InChIKey is GYKZRILTDSQYDO-IGMKCXDFSA-N. The full InChI is InChI=1S/2C18H18BrN3O/c2*1-11-7-18(11,13-9-20-22(2)10-13)8-17(23)16-6-12-5-14(19)3-4-15(12)21-16/h2*3-6,9-11,21H,7-8H2,1-2H3/t2*11-,18-/m10/s1.
What are the key properties of 1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone?
1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone has a molecular weight of 744.53 g/mol, XLogP of 8.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indol-2-yl)-2-[(1R,2R)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone;1-(5-bromo-1H-indol-2-yl)-2-[(1S,2S)-2-methyl-1-(1-methylpyrazol-4-yl)cyclopropyl]ethanone is sourced from PubChem (CID 158403901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).