2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C18H16FN3O2 — CID 128963692

IUPAC2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CC(O)CC2c2ccc(F)cc2)nc2ccccn12
InChIInChI=1S/C18H16FN3O2/c19-13-6-4-12(5-7-13)15-9-14(23)11-22(15)17-10-18(24)21-8-2-1-3-16(21)20-17/h1-8,10,14-15,23H,9,11H2
InChIKeyUVLMZDLLUSPCPO-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.15
Rot. Bonds2

About 2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 128963692) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID128963692
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(N2CC(O)CC2c2ccc(F)cc2)nc2ccccn12
InChIInChI=1S/C18H16FN3O2/c19-13-6-4-12(5-7-13)15-9-14(23)11-22(15)17-10-18(24)21-8-2-1-3-16(21)20-17/h1-8,10,14-15,23H,9,11H2
InChIKeyUVLMZDLLUSPCPO-UHFFFAOYSA-N
XLogP2.15
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 128963692) is 2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(N2CC(O)CC2c2ccc(F)cc2)nc2ccccn12.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UVLMZDLLUSPCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-13-6-4-12(5-7-13)15-9-14(23)11-22(15)17-10-18(24)21-8-2-1-3-16(21)20-17/h1-8,10,14-15,23H,9,11H2.
What are the key properties of 2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 325.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 128963692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).