(4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone

C17H17BrFN3O — CID 58484600

IUPAC(4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(Br)cc3F)CC2)nc1
InChIInChI=1S/C17H17BrFN3O/c1-12-2-5-16(20-11-12)21-6-8-22(9-7-21)17(23)14-4-3-13(18)10-15(14)19/h2-5,10-11H,6-9H2,1H3
InChIKeyMSTZWELWQDGYPL-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.25
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone

(4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 58484600) has the molecular formula C17H17BrFN3O and a molecular weight of 378.25 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID58484600
Molecular FormulaC17H17BrFN3O
Molecular Weight378.25 g/mol
Exact Mass377.05
IUPAC Name(4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc(Br)cc3F)CC2)nc1
InChIInChI=1S/C17H17BrFN3O/c1-12-2-5-16(20-11-12)21-6-8-22(9-7-21)17(23)14-4-3-13(18)10-15(14)19/h2-5,10-11H,6-9H2,1H3
InChIKeyMSTZWELWQDGYPL-UHFFFAOYSA-N
XLogP3.25
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-[4-(2-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 154840193
[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 59676606
(4-bromo-2-fluorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43420911
(2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4838574
(5-amino-2-methylphenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641996
2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041854
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122351437
(4-bromo-2-fluorophenyl)-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78850149
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-fluoro-4-iodophenyl)methanone
CID 71252432
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041978
(2-aminophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 119946518
N-[6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-difluorobenzamide
CID 46053350

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 58484600) is (4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3ccc(Br)cc3F)CC2)nc1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is MSTZWELWQDGYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN3O/c1-12-2-5-16(20-11-12)21-6-8-22(9-7-21)17(23)14-4-3-13(18)10-15(14)19/h2-5,10-11H,6-9H2,1H3.
What are the key properties of (4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
(4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 378.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 58484600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).