2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one

C28H27FN4O3 — CID 18919092

IUPAC2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)nc2cccc(C)n2c1=O
InChIInChI=1S/C28H27FN4O3/c1-19-4-3-5-25-30-26(20(2)27(34)33(19)25)36-18-21-6-8-22(9-7-21)28(35)32-16-14-31(15-17-32)24-12-10-23(29)11-13-24/h3-13H,14-18H2,1-2H3
InChIKeyQVYFGEGAURCYSI-UHFFFAOYSA-N
MW486.55 g/mol
LogP3.99
Rot. Bonds5

About 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one

2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 18919092) has the molecular formula C28H27FN4O3 and a molecular weight of 486.55 g/mol. Its IUPAC name is 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID18919092
Molecular FormulaC28H27FN4O3
Molecular Weight486.55 g/mol
Exact Mass486.21
IUPAC Name2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)nc2cccc(C)n2c1=O
InChIInChI=1S/C28H27FN4O3/c1-19-4-3-5-25-30-26(20(2)27(34)33(19)25)36-18-21-6-8-22(9-7-21)28(35)32-16-14-31(15-17-32)24-12-10-23(29)11-13-24/h3-13H,14-18H2,1-2H3
InChIKeyQVYFGEGAURCYSI-UHFFFAOYSA-N
XLogP3.99
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 18919092) is 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one is Cc1c(OCc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)nc2cccc(C)n2c1=O.
What is the InChIKey of 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QVYFGEGAURCYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O3/c1-19-4-3-5-25-30-26(20(2)27(34)33(19)25)36-18-21-6-8-22(9-7-21)28(35)32-16-14-31(15-17-32)24-12-10-23(29)11-13-24/h3-13H,14-18H2,1-2H3.
What are the key properties of 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one?
2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 486.55 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]methoxy]-3,6-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 18919092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).