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

C34H32ClFN6O4 — CID 58148074

IUPAC2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(C4=NC=C(Cc5ccc(F)c(Cl)c5)C4)nc23)C1=O
InChIInChI=1S/C34H32ClFN6O4/c1-39-9-10-41(34(39)44)29-18-25(40-11-13-45-14-12-40)20-42-32(29)38-30(31(33(42)43)46-21-22-5-3-2-4-6-22)28-17-24(19-37-28)15-23-7-8-27(36)26(35)16-23/h2-8,16,18-20H,9-15,17,21H2,1H3
InChIKeySMZBIFVDMGIHFI-UHFFFAOYSA-N
MW643.12 g/mol
LogP5.09
Rot. Bonds8

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

2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 58148074) has the molecular formula C34H32ClFN6O4 and a molecular weight of 643.12 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID58148074
Molecular FormulaC34H32ClFN6O4
Molecular Weight643.12 g/mol
Exact Mass642.22
IUPAC Name2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(C4=NC=C(Cc5ccc(F)c(Cl)c5)C4)nc23)C1=O
InChIInChI=1S/C34H32ClFN6O4/c1-39-9-10-41(34(39)44)29-18-25(40-11-13-45-14-12-40)20-42-32(29)38-30(31(33(42)43)46-21-22-5-3-2-4-6-22)28-17-24(19-37-28)15-23-7-8-27(36)26(35)16-23/h2-8,16,18-20H,9-15,17,21H2,1H3
InChIKeySMZBIFVDMGIHFI-UHFFFAOYSA-N
XLogP5.09
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.12
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
5-(3-Chloro-4-fluorophenyl)-1-[9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58148004
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
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
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
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
2-[4-[(3,4-difluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58148073
N-[3-(3-chloro-4-fluorophenyl)-2-oxopropyl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 66953108
2-[1-[[1-Amino-3-(3,4-difluorophenyl)propan-2-ylidene]amino]ethyl]-6-methyl-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxy-6,7-dihydropyrido[1,2-a]pyrimidin-4-one
CID 90993632
2-[3-(4-Fluorophenyl)propanoyl]-7-(4-methylpiperazin-1-yl)-9-(2-oxo-3-propan-2-ylimidazolidin-1-yl)-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 149185136
2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 136184201

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one (CID 58148074) is 2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(C4=NC=C(Cc5ccc(F)c(Cl)c5)C4)nc23)C1=O.
What is the InChIKey of 2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SMZBIFVDMGIHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClFN6O4/c1-39-9-10-41(34(39)44)29-18-25(40-11-13-45-14-12-40)20-42-32(29)38-30(31(33(42)43)46-21-22-5-3-2-4-6-22)28-17-24(19-37-28)15-23-7-8-27(36)26(35)16-23/h2-8,16,18-20H,9-15,17,21H2,1H3.
What are the key properties of 2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one?
2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 643.12 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58148074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).