2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

C28H24FN5O4 — CID 58101032

IUPAC2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(OCc2ccccc2)c(-c2nc(Cc3ccc(F)cc3)no2)nc2ccc(N3CCOCC3)cn12
InChIInChI=1S/C28H24FN5O4/c29-21-8-6-19(7-9-21)16-23-30-27(38-32-23)25-26(37-18-20-4-2-1-3-5-20)28(35)34-17-22(10-11-24(34)31-25)33-12-14-36-15-13-33/h1-11,17H,12-16,18H2
InChIKeyMKBSOLQESYXWCM-UHFFFAOYSA-N
MW513.53 g/mol
LogP3.89
Rot. Bonds7

About 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 58101032) has the molecular formula C28H24FN5O4 and a molecular weight of 513.53 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID58101032
Molecular FormulaC28H24FN5O4
Molecular Weight513.53 g/mol
Exact Mass513.18
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(OCc2ccccc2)c(-c2nc(Cc3ccc(F)cc3)no2)nc2ccc(N3CCOCC3)cn12
InChIInChI=1S/C28H24FN5O4/c29-21-8-6-19(7-9-21)16-23-30-27(38-32-23)25-26(37-18-20-4-2-1-3-5-20)28(35)34-17-22(10-11-24(34)31-25)33-12-14-36-15-13-33/h1-11,17H,12-16,18H2
InChIKeyMKBSOLQESYXWCM-UHFFFAOYSA-N
XLogP3.89
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (CID 58101032) is 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is O=c1c(OCc2ccccc2)c(-c2nc(Cc3ccc(F)cc3)no2)nc2ccc(N3CCOCC3)cn12.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MKBSOLQESYXWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O4/c29-21-8-6-19(7-9-21)16-23-30-27(38-32-23)25-26(37-18-20-4-2-1-3-5-20)28(35)34-17-22(10-11-24(34)31-25)33-12-14-36-15-13-33/h1-11,17H,12-16,18H2.
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 513.53 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58101032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).