2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C37H36F3N9O4 — CID 137374099

IUPAC2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1c(F)cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1F.COc1ncc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1F
InChIInChI=1S/C19H18F2N4O2.C18H18FN5O2/c1-27-19-14(20)8-12(9-15(19)21)16-10-18(26)25-11-13(2-3-17(25)23-16)24-6-4-22-5-7-24;1-26-18-14(19)8-12(10-21-18)15-9-17(25)24-11-13(2-3-16(24)22-15)23-6-4-20-5-7-23/h2-3,8-11,22H,4-7H2,1H3;2-3,8-11,20H,4-7H2,1H3
InChIKeyYQRZZXFXMUPGTF-UHFFFAOYSA-N
MW727.75 g/mol
LogP3.37
Rot. Bonds6

About 2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 137374099) has the molecular formula C37H36F3N9O4 and a molecular weight of 727.75 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID137374099
Molecular FormulaC37H36F3N9O4
Molecular Weight727.75 g/mol
Exact Mass727.28
IUPAC Name2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1c(F)cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1F.COc1ncc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1F
InChIInChI=1S/C19H18F2N4O2.C18H18FN5O2/c1-27-19-14(20)8-12(9-15(19)21)16-10-18(26)25-11-13(2-3-17(25)23-16)24-6-4-22-5-7-24;1-26-18-14(19)8-12(10-21-18)15-9-17(25)24-11-13(2-3-16(24)22-15)23-6-4-20-5-7-23/h2-3,8-11,22H,4-7H2,1H3;2-3,8-11,20H,4-7H2,1H3
InChIKeyYQRZZXFXMUPGTF-UHFFFAOYSA-N
XLogP3.37
TPSA130.63 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.75
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 137374099) is 2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is COc1c(F)cc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1F.COc1ncc(-c2cc(=O)n3cc(N4CCNCC4)ccc3n2)cc1F.
What is the InChIKey of 2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YQRZZXFXMUPGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2.C18H18FN5O2/c1-27-19-14(20)8-12(9-15(19)21)16-10-18(26)25-11-13(2-3-17(25)23-16)24-6-4-22-5-7-24;1-26-18-14(19)8-12(10-21-18)15-9-17(25)24-11-13(2-3-16(24)22-15)23-6-4-20-5-7-23/h2-3,8-11,22H,4-7H2,1H3;2-3,8-11,20H,4-7H2,1H3.
What are the key properties of 2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 727.75 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-methoxyphenyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(5-fluoro-6-methoxy-3-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137374099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).