2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone

C19H19BrClN3O4 — CID 23910486

IUPAC2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone
SMILESCOc1ccc(Cl)c(OC)c1C(=O)N1CCCN1C(=O)Cc1cncc(Br)c1
InChIInChI=1S/C19H19BrClN3O4/c1-27-15-5-4-14(21)18(28-2)17(15)19(26)24-7-3-6-23(24)16(25)9-12-8-13(20)11-22-10-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3
InChIKeyFRGBXPGBWSEELI-UHFFFAOYSA-N
MW468.74 g/mol
LogP3.35
Rot. Bonds5

About 2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone

2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone (PubChem CID 23910486) has the molecular formula C19H19BrClN3O4 and a molecular weight of 468.74 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone
PubChem CID23910486
Molecular FormulaC19H19BrClN3O4
Molecular Weight468.74 g/mol
Exact Mass467.02
IUPAC Name2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone
SMILESCOc1ccc(Cl)c(OC)c1C(=O)N1CCCN1C(=O)Cc1cncc(Br)c1
InChIInChI=1S/C19H19BrClN3O4/c1-27-15-5-4-14(21)18(28-2)17(15)19(26)24-7-3-6-23(24)16(25)9-12-8-13(20)11-22-10-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3
InChIKeyFRGBXPGBWSEELI-UHFFFAOYSA-N
XLogP3.35
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.74
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-2-ethylsulfanylethanone
CID 3806515
[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-cyclobutylmethanone
CID 3674670
2-[2-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 3869263
2-(3-chloro-2,6-dimethoxybenzoyl)-N-(2-methylpropyl)pyrazolidine-1-carbothioamide
CID 3443391
2-(5-bromo-3-pyridinyl)-1-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethanone
CID 3728542
2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone
CID 18985988
2-(3-chloro-2,6-dimethoxybenzoyl)-N-(furan-2-ylmethyl)pyrazolidine-1-carbothioamide
CID 3445334
2-(5-bromo-3-pyridinyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 104799303
2-(1,3-benzodioxol-5-yl)-1-[2-(3,4,5-trimethoxybenzoyl)pyrazolidin-1-yl]ethanone
CID 3872305
2-(4-methylsulfonylphenyl)-1-[2-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrazolidin-1-yl]ethanone
CID 4685194
tert-butyl 4-[2-(5-bromo-3-pyridinyl)acetyl]piperazine-1-carboxylate
CID 169488557
2-(5-bromo-3-pyridinyl)-1-(6-methoxypyridazin-3-yl)ethanone
CID 103373346

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone (CID 23910486) is 2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone is COc1ccc(Cl)c(OC)c1C(=O)N1CCCN1C(=O)Cc1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone?
The InChIKey is FRGBXPGBWSEELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O4/c1-27-15-5-4-14(21)18(28-2)17(15)19(26)24-7-3-6-23(24)16(25)9-12-8-13(20)11-22-10-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone?
2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone has a molecular weight of 468.74 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-[2-(3-chloro-2,6-dimethoxybenzoyl)pyrazolidin-1-yl]ethanone is sourced from PubChem (CID 23910486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).