7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

C21H16FN3O3 — CID 167008807

IUPAC7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2ccc(Oc3ccc(OCc4ccc(F)cc4)nc3)cn2c1=O
InChIInChI=1S/C21H16FN3O3/c1-14-10-23-19-8-6-18(12-25(19)21(14)26)28-17-7-9-20(24-11-17)27-13-15-2-4-16(22)5-3-15/h2-12H,13H2,1H3
InChIKeyXMSSFKQZLYQOLY-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.91
Rot. Bonds5

About 7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 167008807) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID167008807
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2ccc(Oc3ccc(OCc4ccc(F)cc4)nc3)cn2c1=O
InChIInChI=1S/C21H16FN3O3/c1-14-10-23-19-8-6-18(12-25(19)21(14)26)28-17-7-9-20(24-11-17)27-13-15-2-4-16(22)5-3-15/h2-12H,13H2,1H3
InChIKeyXMSSFKQZLYQOLY-UHFFFAOYSA-N
XLogP3.91
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 167008807) is 7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cnc2ccc(Oc3ccc(OCc4ccc(F)cc4)nc3)cn2c1=O.
What is the InChIKey of 7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XMSSFKQZLYQOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-14-10-23-19-8-6-18(12-25(19)21(14)26)28-17-7-9-20(24-11-17)27-13-15-2-4-16(22)5-3-15/h2-12H,13H2,1H3.
What are the key properties of 7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 377.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167008807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).