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

C33H34FN5O7S — CID 58148046

IUPAC5-(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
SMILESCN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(C(=O)CCC(=O)Cc4ccc(F)cc4)nc23)S1(=O)=O
InChIInChI=1S/C33H34FN5O7S/c1-36-13-14-39(47(36,43)44)28-20-26(37-15-17-45-18-16-37)21-38-32(28)35-30(31(33(38)42)46-22-24-5-3-2-4-6-24)29(41)12-11-27(40)19-23-7-9-25(34)10-8-23/h2-10,20-21H,11-19,22H2,1H3
InChIKeyFBVIBKRCXWDGNA-UHFFFAOYSA-N
MW663.73 g/mol
LogP3.02
Rot. Bonds11

About 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

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 (PubChem CID 58148046) has the molecular formula C33H34FN5O7S and a molecular weight of 663.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID58148046
Molecular FormulaC33H34FN5O7S
Molecular Weight663.73 g/mol
Exact Mass663.22
IUPAC Name5-(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
SMILESCN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(C(=O)CCC(=O)Cc4ccc(F)cc4)nc23)S1(=O)=O
InChIInChI=1S/C33H34FN5O7S/c1-36-13-14-39(47(36,43)44)28-20-26(37-15-17-45-18-16-37)21-38-32(28)35-30(31(33(38)42)46-22-24-5-3-2-4-6-24)29(41)12-11-27(40)19-23-7-9-25(34)10-8-23/h2-10,20-21H,11-19,22H2,1H3
InChIKeyFBVIBKRCXWDGNA-UHFFFAOYSA-N
XLogP3.02
TPSA130.83 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500663.73
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

7-(1,1-Dioxo-1,2-thiazolidin-2-yl)-2-[3-(4-fluorophenyl)propanoyl]-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58100959
5-(4-Fluorophenyl)-1-[7-(morpholin-4-ylmethyl)-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl]pentane-1,4-dione
CID 58101117
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
N-[2-[5-(4-fluorophenyl)-4-oxopentanoyl]-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-9-yl]-N-methylmethanesulfonamide
CID 58147990
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
5-(4-Fluorophenyl)-1-(7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)pentane-1,4-dione
CID 58148019
1-(9-Bromo-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidin-2-yl)-5-(4-fluorophenyl)pentane-1,4-dione
CID 58148044
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(C(=O)CCC(=O)Cc4ccc(F)cc4)nc23)S1(=O)=O.
What is the InChIKey of 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?
The InChIKey is FBVIBKRCXWDGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN5O7S/c1-36-13-14-39(47(36,43)44)28-20-26(37-15-17-45-18-16-37)21-38-32(28)35-30(31(33(38)42)46-22-24-5-3-2-4-6-24)29(41)12-11-27(40)19-23-7-9-25(34)10-8-23/h2-10,20-21H,11-19,22H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 663.73 g/mol, XLogP of 3.02, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58148046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).