7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

C22H18FN3O4 — CID 167008881

IUPAC7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(COc2ncc(Oc3ccc4ncc(C)c(=O)n4c3)cc2F)cc1
InChIInChI=1S/C22H18FN3O4/c1-14-10-24-20-8-7-17(12-26(20)22(14)27)30-18-9-19(23)21(25-11-18)29-13-15-3-5-16(28-2)6-4-15/h3-12H,13H2,1-2H3
InChIKeyDOOLBFZXQCJUAX-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.92
Rot. Bonds6

About 7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 167008881) has the molecular formula C22H18FN3O4 and a molecular weight of 407.40 g/mol. Its IUPAC name is 7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID167008881
Molecular FormulaC22H18FN3O4
Molecular Weight407.40 g/mol
Exact Mass407.13
IUPAC Name7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(COc2ncc(Oc3ccc4ncc(C)c(=O)n4c3)cc2F)cc1
InChIInChI=1S/C22H18FN3O4/c1-14-10-24-20-8-7-17(12-26(20)22(14)27)30-18-9-19(23)21(25-11-18)29-13-15-3-5-16(28-2)6-4-15/h3-12H,13H2,1-2H3
InChIKeyDOOLBFZXQCJUAX-UHFFFAOYSA-N
XLogP3.92
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 167008881) is 7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccc(COc2ncc(Oc3ccc4ncc(C)c(=O)n4c3)cc2F)cc1.
What is the InChIKey of 7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DOOLBFZXQCJUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4/c1-14-10-24-20-8-7-17(12-26(20)22(14)27)30-18-9-19(23)21(25-11-18)29-13-15-3-5-16(28-2)6-4-15/h3-12H,13H2,1-2H3.
What are the key properties of 7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 407.40 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-fluoro-6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167008881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).