[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone

C18H11BrCl2N4O — CID 141163748

IUPAC[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone
SMILESCc1cc(Cl)cc2ccn(C(=O)c3cc(Br)nn3-c3ncccc3Cl)c12
InChIInChI=1S/C18H11BrCl2N4O/c1-10-7-12(20)8-11-4-6-24(16(10)11)18(26)14-9-15(19)23-25(14)17-13(21)3-2-5-22-17/h2-9H,1H3
InChIKeyVHTOBZBWBSTXMD-UHFFFAOYSA-N
MW450.12 g/mol
LogP5.29
Rot. Bonds2

About [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone

[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone (PubChem CID 141163748) has the molecular formula C18H11BrCl2N4O and a molecular weight of 450.12 g/mol. Its IUPAC name is [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone.

Molecular Properties

Compound Name[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone
PubChem CID141163748
Molecular FormulaC18H11BrCl2N4O
Molecular Weight450.12 g/mol
Exact Mass447.95
IUPAC Name[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone
SMILESCc1cc(Cl)cc2ccn(C(=O)c3cc(Br)nn3-c3ncccc3Cl)c12
InChIInChI=1S/C18H11BrCl2N4O/c1-10-7-12(20)8-11-4-6-24(16(10)11)18(26)14-9-15(19)23-25(14)17-13(21)3-2-5-22-17/h2-9H,1H3
InChIKeyVHTOBZBWBSTXMD-UHFFFAOYSA-N
XLogP5.29
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.12
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone
CID 123646569
3-bromo-N-(4-chloro-2-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141285430
[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]amino]carbamic acid
CID 121248607
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-methylamino]-3,5-dichlorobenzoyl chloride
CID 175538991
2-[3-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-3-oxopropyl]-5-chloro-N,3-dimethylbenzamide
CID 164597899
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl chloride
CID 175324112
3-bromo-N-[2-(N-bromo-S-methylsulfonimidoyl)-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 151227796
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-ethylamino]-3,5-dichlorobenzoyl chloride
CID 175539000
3-bromo-N-[[4-chloro-2-methyl-6-(propylcarbamoyl)phenyl]carbamoyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 141464590
2-[[2-[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]amino]acetyl]amino]acetic acid
CID 146015219
3-bromo-N-[4-chloro-2-(cyanomethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 150047595
[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]-methylamino]-methylcarbamic acid
CID 67468671

Frequently Asked Questions

What is the IUPAC name of [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone?
The IUPAC name of [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone (CID 141163748) is [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone.
What is the SMILES notation for [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone?
The canonical SMILES for [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone is Cc1cc(Cl)cc2ccn(C(=O)c3cc(Br)nn3-c3ncccc3Cl)c12.
What is the InChIKey of [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone?
The InChIKey is VHTOBZBWBSTXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrCl2N4O/c1-10-7-12(20)8-11-4-6-24(16(10)11)18(26)14-9-15(19)23-25(14)17-13(21)3-2-5-22-17/h2-9H,1H3.
What are the key properties of [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone?
[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone has a molecular weight of 450.12 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone is sourced from PubChem (CID 141163748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).