2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C20H18BrFN4O2 — CID 42897706

IUPAC2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1ccc(F)cc1Br)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C20H18BrFN4O2/c21-17-11-14(22)4-5-16(17)20(28)25-9-7-24(8-10-25)13-15-12-19(27)26-6-2-1-3-18(26)23-15/h1-6,11-12H,7-10,13H2
InChIKeyRQWCPXYHTRAMAX-UHFFFAOYSA-N
MW445.29 g/mol
LogP2.55
Rot. Bonds3

About 2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 42897706) has the molecular formula C20H18BrFN4O2 and a molecular weight of 445.29 g/mol. Its IUPAC name is 2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID42897706
Molecular FormulaC20H18BrFN4O2
Molecular Weight445.29 g/mol
Exact Mass444.06
IUPAC Name2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C(c1ccc(F)cc1Br)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C20H18BrFN4O2/c21-17-11-14(22)4-5-16(17)20(28)25-9-7-24(8-10-25)13-15-12-19(27)26-6-2-1-3-18(26)23-15/h1-6,11-12H,7-10,13H2
InChIKeyRQWCPXYHTRAMAX-UHFFFAOYSA-N
XLogP2.55
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42945115
2-[[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42945200
2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
7-[[4-(4-fluoro-2-iodobenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55685953
(2-bromo-4-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31328462
2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42949475
2-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156874
(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60698441
7-[[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46666805
(2-chloro-4-fluorophenyl)-[4-(pyrazolo[1,5-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 90571504
(2,4-dibromophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 155541603
(4-fluorophenyl)-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
CID 47022126

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 42897706) is 2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=C(c1ccc(F)cc1Br)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1.
What is the InChIKey of 2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RQWCPXYHTRAMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN4O2/c21-17-11-14(22)4-5-16(17)20(28)25-9-7-24(8-10-25)13-15-12-19(27)26-6-2-1-3-18(26)23-15/h1-6,11-12H,7-10,13H2.
What are the key properties of 2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 445.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42897706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).