methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate

C31H37FN4O5 — CID 10929801

IUPACmethyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate
SMILESCOCCN(C)Cc1c(C(C)(C)C(=O)OC)nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n12
InChIInChI=1S/C31H37FN4O5/c1-20-26(21-12-10-13-23(17-21)40-6)28(37)36-25(19-34(4)15-16-39-5)27(31(2,3)29(38)41-7)33-30(36)35(20)18-22-11-8-9-14-24(22)32/h8-14,17H,15-16,18-19H2,1-7H3
InChIKeyAXEKRUVFUPEUSM-UHFFFAOYSA-N
MW564.66 g/mol
LogP4.20
Rot. Bonds11

About methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate

methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate (PubChem CID 10929801) has the molecular formula C31H37FN4O5 and a molecular weight of 564.66 g/mol. Its IUPAC name is methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate
PubChem CID10929801
Molecular FormulaC31H37FN4O5
Molecular Weight564.66 g/mol
Exact Mass564.27
IUPAC Namemethyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate
SMILESCOCCN(C)Cc1c(C(C)(C)C(=O)OC)nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n12
InChIInChI=1S/C31H37FN4O5/c1-20-26(21-12-10-13-23(17-21)40-6)28(37)36-25(19-34(4)15-16-39-5)27(31(2,3)29(38)41-7)33-30(36)35(20)18-22-11-8-9-14-24(22)32/h8-14,17H,15-16,18-19H2,1-7H3
InChIKeyAXEKRUVFUPEUSM-UHFFFAOYSA-N
XLogP4.20
TPSA87.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.66
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate (CID 10929801) is methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate is COCCN(C)Cc1c(C(C)(C)C(=O)OC)nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n12.
What is the InChIKey of methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate?
The InChIKey is AXEKRUVFUPEUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN4O5/c1-20-26(21-12-10-13-23(17-21)40-6)28(37)36-25(19-34(4)15-16-39-5)27(31(2,3)29(38)41-7)33-30(36)35(20)18-22-11-8-9-14-24(22)32/h8-14,17H,15-16,18-19H2,1-7H3.
What are the key properties of methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate?
methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate has a molecular weight of 564.66 g/mol, XLogP of 4.20, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[8-[(2-fluorophenyl)methyl]-3-[[2-methoxyethyl(methyl)amino]methyl]-6-(3-methoxyphenyl)-7-methyl-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate is sourced from PubChem (CID 10929801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).