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

C35H41F2N7O4 — CID 90993632

IUPAC2-[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
SMILESCC(/N=C(/CN)Cc1ccc(F)c(F)c1)c1nc2n(c(=O)c1OCc1ccccc1)C(C)C(N1CCOCC1)C=C2N1CCN(C)C1=O
InChIInChI=1S/C35H41F2N7O4/c1-22(39-26(20-38)17-25-9-10-27(36)28(37)18-25)31-32(48-21-24-7-5-4-6-8-24)34(45)44-23(2)29(42-13-15-47-16-14-42)19-30(33(44)40-31)43-12-11-41(3)35(43)46/h4-10,18-19,22-23,29H,11-17,20-21,38H2,1-3H3/b39-26+
InChIKeyJLTAWWQLXKPKIU-JBFMKSPFSA-N
MW661.75 g/mol
LogP3.79
Rot. Bonds10

About 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

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 (PubChem CID 90993632) has the molecular formula C35H41F2N7O4 and a molecular weight of 661.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID90993632
Molecular FormulaC35H41F2N7O4
Molecular Weight661.75 g/mol
Exact Mass661.32
IUPAC Name2-[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
SMILESCC(/N=C(/CN)Cc1ccc(F)c(F)c1)c1nc2n(c(=O)c1OCc1ccccc1)C(C)C(N1CCOCC1)C=C2N1CCN(C)C1=O
InChIInChI=1S/C35H41F2N7O4/c1-22(39-26(20-38)17-25-9-10-27(36)28(37)18-25)31-32(48-21-24-7-5-4-6-8-24)34(45)44-23(2)29(42-13-15-47-16-14-42)19-30(33(44)40-31)43-12-11-41(3)35(43)46/h4-10,18-19,22-23,29H,11-17,20-21,38H2,1-3H3/b39-26+
InChIKeyJLTAWWQLXKPKIU-JBFMKSPFSA-N
XLogP3.79
TPSA118.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-(4-Fluorobenzyl)-3-(benzyloxy)-9-methyl-4-oxo-4,6,7,9-tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21070030
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
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
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
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
1-[7-(Dimethylamino)-9-(3-methyl-2-oxoimidazolidin-1-yl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]-5-(4-fluorophenyl)pentane-1,4-dione
CID 58148077

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(/N=C(/CN)Cc1ccc(F)c(F)c1)c1nc2n(c(=O)c1OCc1ccccc1)C(C)C(N1CCOCC1)C=C2N1CCN(C)C1=O.
What is the InChIKey of 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?
The InChIKey is JLTAWWQLXKPKIU-JBFMKSPFSA-N. The full InChI is InChI=1S/C35H41F2N7O4/c1-22(39-26(20-38)17-25-9-10-27(36)28(37)18-25)31-32(48-21-24-7-5-4-6-8-24)34(45)44-23(2)29(42-13-15-47-16-14-42)19-30(33(44)40-31)43-12-11-41(3)35(43)46/h4-10,18-19,22-23,29H,11-17,20-21,38H2,1-3H3/b39-26+.
What are the key properties of 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?
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 has a molecular weight of 661.75 g/mol, XLogP of 3.79, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90993632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).