2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide

C30H29FN4O5 — CID 58147996

IUPAC2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC(=O)c1nc2ccc(CN3CCOCC3)cn2c(=O)c1OCc1ccccc1
InChIInChI=1S/C30H29FN4O5/c31-24-9-6-21(7-10-24)16-27(37)32-17-25(36)28-29(40-20-22-4-2-1-3-5-22)30(38)35-19-23(8-11-26(35)33-28)18-34-12-14-39-15-13-34/h1-11,19H,12-18,20H2,(H,32,37)
InChIKeyHZBXSAZVXPOPJV-UHFFFAOYSA-N
MW544.58 g/mol
LogP2.79
Rot. Bonds10

About 2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide

2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide (PubChem CID 58147996) has the molecular formula C30H29FN4O5 and a molecular weight of 544.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide
PubChem CID58147996
Molecular FormulaC30H29FN4O5
Molecular Weight544.58 g/mol
Exact Mass544.21
IUPAC Name2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC(=O)c1nc2ccc(CN3CCOCC3)cn2c(=O)c1OCc1ccccc1
InChIInChI=1S/C30H29FN4O5/c31-24-9-6-21(7-10-24)16-27(37)32-17-25(36)28-29(40-20-22-4-2-1-3-5-22)30(38)35-19-23(8-11-26(35)33-28)18-34-12-14-39-15-13-34/h1-11,19H,12-18,20H2,(H,32,37)
InChIKeyHZBXSAZVXPOPJV-UHFFFAOYSA-N
XLogP2.79
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.58
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

9-[(4-fluorophenyl)methoxy]-N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54733276
N-(2-((2-Aminoethyl)carbamoyl)-4-fluorobenzyl)-3-(benzyloxy)-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21069974
N-(4-Fluoro-2-(methylcarbamoyl)benzyl)-3-(benzyloxy)-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21070021
N-(4-Fluoro-2-(methylcarbamoyl)benzyl)-3-(benzyloxy)-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21070022
n-{4-Fluoro-2-(methylcarbamoyl)benzyl}-3-benzyloxy-9-methyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21070023
N-(4-Fluoro-2-(morpholine-4-carbonyl)benzyl)-3-(benzyloxy)-9,9-dimethyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21070024
N-(4-Fluorobenzyl)-3-(benzyloxy)-9-methyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21070030
N-(4-Fluoro-2-(methylcarbamoyl)benzyl)-3-(benzyloxy)-9,9-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 21080177
7-Bromo-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58100968
2-(4-fluorophenyl)-N-[2-(7-methyl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)-2-oxoethyl]acetamide
CID 58101011
2-[3-(4-Fluorophenyl)propanoyl]-7-iodo-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58101031
[(Z)-[amino-(7-methyl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)methylidene]amino] 2-(4-fluorophenyl)acetate
CID 58101097

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide (CID 58147996) is 2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide is O=C(Cc1ccc(F)cc1)NCC(=O)c1nc2ccc(CN3CCOCC3)cn2c(=O)c1OCc1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide?
The InChIKey is HZBXSAZVXPOPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN4O5/c31-24-9-6-21(7-10-24)16-27(37)32-17-25(36)28-29(40-20-22-4-2-1-3-5-22)30(38)35-19-23(8-11-26(35)33-28)18-34-12-14-39-15-13-34/h1-11,19H,12-18,20H2,(H,32,37).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide has a molecular weight of 544.58 g/mol, XLogP of 2.79, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 58147996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).