2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

C34H32FN5O4 — CID 58148048

IUPAC2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CCCN1c1cc(N2CCOCC2)cn2c(=O)c(OCc3ccccc3)c(C3=NC=C(Cc4ccc(F)cc4)C3)nc12
InChIInChI=1S/C34H32FN5O4/c35-26-10-8-23(9-11-26)17-25-18-28(36-20-25)31-32(44-22-24-5-2-1-3-6-24)34(42)40-21-27(38-13-15-43-16-14-38)19-29(33(40)37-31)39-12-4-7-30(39)41/h1-3,5-6,8-11,19-21H,4,7,12-18,22H2
InChIKeyLEBQFKVOAHIKHB-UHFFFAOYSA-N
MW593.66 g/mol
LogP4.70
Rot. Bonds8

About 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one

2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 58148048) has the molecular formula C34H32FN5O4 and a molecular weight of 593.66 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID58148048
Molecular FormulaC34H32FN5O4
Molecular Weight593.66 g/mol
Exact Mass593.24
IUPAC Name2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CCCN1c1cc(N2CCOCC2)cn2c(=O)c(OCc3ccccc3)c(C3=NC=C(Cc4ccc(F)cc4)C3)nc12
InChIInChI=1S/C34H32FN5O4/c35-26-10-8-23(9-11-26)17-25-18-28(36-20-25)31-32(44-22-24-5-2-1-3-6-24)34(42)40-21-27(38-13-15-43-16-14-38)19-29(33(40)37-31)39-12-4-7-30(39)41/h1-3,5-6,8-11,19-21H,4,7,12-18,22H2
InChIKeyLEBQFKVOAHIKHB-UHFFFAOYSA-N
XLogP4.70
TPSA88.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.66
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-Fluorophenyl)-1-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58101117
[(E)-[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101133
5-(4-Fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxo-1,3-oxazolidin-3-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58147974
5-(4-Fluorophenyl)-1-[7-morpholin-4-yl-4-oxo-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58147979
2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58147980
2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58148000
3-[2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-9-yl]-1,3-oxazolidin-2-one
CID 58148018
5-(4-Fluorophenyl)-1-(7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)pentane-1,4-dione
CID 58148019
7-(dimethylamino)-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58148026
9-bromo-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58148034
5-(4-Fluorophenyl)-1-[9-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58148046
N-[2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-9-yl]-N-methylmethanesulfonamide
CID 58148049

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (CID 58148048) is 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is O=C1CCCN1c1cc(N2CCOCC2)cn2c(=O)c(OCc3ccccc3)c(C3=NC=C(Cc4ccc(F)cc4)C3)nc12.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LEBQFKVOAHIKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN5O4/c35-26-10-8-23(9-11-26)17-25-18-28(36-20-25)31-32(44-22-24-5-2-1-3-6-24)34(42)40-21-27(38-13-15-43-16-14-38)19-29(33(40)37-31)39-12-4-7-30(39)41/h1-3,5-6,8-11,19-21H,4,7,12-18,22H2.
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 593.66 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-9-(2-oxopyrrolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58148048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).