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

C36H39FN4O4 — CID 10930118

IUPACmethyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n2c1CN(C)CCc1ccccc1
InChIInChI=1S/C36H39FN4O4/c1-24-31(26-16-12-17-28(21-26)44-5)33(42)41-30(23-39(4)20-19-25-13-8-7-9-14-25)32(36(2,3)34(43)45-6)38-35(41)40(24)22-27-15-10-11-18-29(27)37/h7-18,21H,19-20,22-23H2,1-6H3
InChIKeyFGPZLUBKQLMTTI-UHFFFAOYSA-N
MW610.73 g/mol
LogP5.79
Rot. Bonds11

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

methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate (PubChem CID 10930118) has the molecular formula C36H39FN4O4 and a molecular weight of 610.73 g/mol. Its IUPAC name is methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate
PubChem CID10930118
Molecular FormulaC36H39FN4O4
Molecular Weight610.73 g/mol
Exact Mass610.30
IUPAC Namemethyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n2c1CN(C)CCc1ccccc1
InChIInChI=1S/C36H39FN4O4/c1-24-31(26-16-12-17-28(21-26)44-5)33(42)41-30(23-39(4)20-19-25-13-8-7-9-14-25)32(36(2,3)34(43)45-6)38-35(41)40(24)22-27-15-10-11-18-29(27)37/h7-18,21H,19-20,22-23H2,1-6H3
InChIKeyFGPZLUBKQLMTTI-UHFFFAOYSA-N
XLogP5.79
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.73
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

8-(2-fluorobenzyl)-2-tert-butyl-6-(3-methoxyphenyl)-7-methyl-3-((methyl(2-(pyridin-2-yl)ethyl)amino)methyl)imidazo[1,2-a]pyrimidin-5(8H)-one
CID 9829468
2-[3-[(Benzyl-methyl-amino)-methyl]-8-(2-fluoro-benzyl)-6-(3-methoxy-phenyl)-7-methyl-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidin-2-yl]-2-methyl-propionic acid methyl ester
CID 9960268
3-[(Benzyl-methyl-amino)-methyl]-8-(2-fluoro-benzyl)-2-(4-methoxy-phenyl)-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidine-6-carboxylic acid ethyl ester
CID 44309671
2-tert-Butyl-8-(2-fluoro-benzyl)-6-(3-methoxy-phenyl)-7-methyl-3-[(methyl-pyridin-2-ylmethyl-amino)-methyl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 9807700
2-(8-(2-Fluoro-benzyl)-6-(3-methoxy-phenyl)-7-methyl-3-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidin-2-yl)-2-methyl-propionic acid methyl ester
CID 9809065
2-tert-Butyl-8-(2-fluoro-benzyl)-6-(3-methoxy-phenyl)-7-methyl-3-{[(pyridin-2-ylmethyl)-amino]-methyl}-8H-imidazo[1,2-a]pyrimidin-5-one
CID 9850211
3-[(Benzyl-methyl-amino)-methyl]-2-tert-butyl-8-(2-fluoro-benzyl)-6-(3-methoxy-phenyl)-7-methyl-8H-imidazo[1,2-a]pyrimidin-5-one
CID 9915597
2-tert-Butyl-8-(2-fluoro-benzyl)-6-(3-methoxy-phenyl)-7-methyl-3-[(2-pyridin-2-yl-ethylamino)-methyl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 9959327
8-(2-Fluorobenzyl)-6-(3-methoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-3-((methyl(2-(pyridin-2-yl)ethyl)amino)methyl)imidazo[1,2-a]pyrimidin-5(8H)-one
CID 9986320
2-{8-(2-Fluoro-benzyl)-6-(3-methoxy-phenyl)-7-methyl-3-[(methyl-pyridin-3-ylmethyl-amino)-methyl]-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidin-2-yl}-2-methyl-propionic acid methyl ester
CID 10908122
3-(Benzylamino-methyl)-2-tert-butyl-8-(2-fluoro-benzyl)-6-(3-methoxy-phenyl)-7-methyl-8H-imidazo[1,2-a]pyrimidin-5-one
CID 10929574
2-[8-(2-Fluoro-benzyl)-3-{[(2-methoxy-ethyl)-methyl-amino]-methyl}-6-(3-methoxy-phenyl)-7-methyl-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidin-2-yl]-2-methyl-propionic acid methyl ester
CID 10929801

Frequently Asked Questions

What is the IUPAC name of methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate (CID 10930118) is methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate is COC(=O)C(C)(C)c1nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n2c1CN(C)CCc1ccccc1.
What is the InChIKey of methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate?
The InChIKey is FGPZLUBKQLMTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39FN4O4/c1-24-31(26-16-12-17-28(21-26)44-5)33(42)41-30(23-39(4)20-19-25-13-8-7-9-14-25)32(36(2,3)34(43)45-6)38-35(41)40(24)22-27-15-10-11-18-29(27)37/h7-18,21H,19-20,22-23H2,1-6H3.
What are the key properties of methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate?
methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate has a molecular weight of 610.73 g/mol, XLogP of 5.79, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate is sourced from PubChem (CID 10930118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).