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

C29H26FN5O3 — CID 66953323

IUPAC2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(OCc2ccccc2)c(-c2ncc(Cc3ccc(F)cc3)[nH]2)nc2ccc(N3CCOCC3)cn12
InChIInChI=1S/C29H26FN5O3/c30-22-8-6-20(7-9-22)16-23-17-31-28(32-23)26-27(38-19-21-4-2-1-3-5-21)29(36)35-18-24(10-11-25(35)33-26)34-12-14-37-15-13-34/h1-11,17-18H,12-16,19H2,(H,31,32)
InChIKeyBYNVTQUSZBIBSJ-UHFFFAOYSA-N
MW511.56 g/mol
LogP4.23
Rot. Bonds7

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

2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 66953323) has the molecular formula C29H26FN5O3 and a molecular weight of 511.56 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID66953323
Molecular FormulaC29H26FN5O3
Molecular Weight511.56 g/mol
Exact Mass511.20
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(OCc2ccccc2)c(-c2ncc(Cc3ccc(F)cc3)[nH]2)nc2ccc(N3CCOCC3)cn12
InChIInChI=1S/C29H26FN5O3/c30-22-8-6-20(7-9-22)16-23-17-31-28(32-23)26-27(38-19-21-4-2-1-3-5-21)29(36)35-18-24(10-11-25(35)33-26)34-12-14-37-15-13-34/h1-11,17-18H,12-16,19H2,(H,31,32)
InChIKeyBYNVTQUSZBIBSJ-UHFFFAOYSA-N
XLogP4.23
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.56
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (CID 66953323) is 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is O=c1c(OCc2ccccc2)c(-c2ncc(Cc3ccc(F)cc3)[nH]2)nc2ccc(N3CCOCC3)cn12.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BYNVTQUSZBIBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O3/c30-22-8-6-20(7-9-22)16-23-17-31-28(32-23)26-27(38-19-21-4-2-1-3-5-21)29(36)35-18-24(10-11-25(35)33-26)34-12-14-37-15-13-34/h1-11,17-18H,12-16,19H2,(H,31,32).
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 511.56 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 66953323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).