2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

C18H20FN5O2 — CID 149217948

IUPAC2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOC1=C(F)C=C(c2cc(=O)n3cc(N4CCNCC4)ccc3n2)CN1
InChIInChI=1S/C18H20FN5O2/c1-26-18-14(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/h2-3,8-9,11,20-21H,4-7,10H2,1H3
InChIKeyXHWHNEVQHGNJDR-UHFFFAOYSA-N
MW357.39 g/mol
LogP0.88
Rot. Bonds3

About 2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one

2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 149217948) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID149217948
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCOC1=C(F)C=C(c2cc(=O)n3cc(N4CCNCC4)ccc3n2)CN1
InChIInChI=1S/C18H20FN5O2/c1-26-18-14(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/h2-3,8-9,11,20-21H,4-7,10H2,1H3
InChIKeyXHWHNEVQHGNJDR-UHFFFAOYSA-N
XLogP0.88
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one (CID 149217948) is 2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is COC1=C(F)C=C(c2cc(=O)n3cc(N4CCNCC4)ccc3n2)CN1.
What is the InChIKey of 2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XHWHNEVQHGNJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-26-18-14(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/h2-3,8-9,11,20-21H,4-7,10H2,1H3.
What are the key properties of 2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one?
2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 357.39 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-6-methoxy-1,2-dihydropyridin-3-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 149217948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).