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

C34H36FN5O4 — CID 10908122

IUPACmethyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-3-ylmethyl)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)Cc1cccnc1
InChIInChI=1S/C34H36FN5O4/c1-22-29(24-13-9-14-26(17-24)43-5)31(41)40-28(21-38(4)19-23-11-10-16-36-18-23)30(34(2,3)32(42)44-6)37-33(40)39(22)20-25-12-7-8-15-27(25)35/h7-18H,19-21H2,1-6H3
InChIKeyZJUUGQZKUKRZMY-UHFFFAOYSA-N
MW597.69 g/mol
LogP5.15
Rot. Bonds10

About methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-3-ylmethyl)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(pyridin-3-ylmethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate (PubChem CID 10908122) has the molecular formula C34H36FN5O4 and a molecular weight of 597.69 g/mol. Its IUPAC name is methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-3-ylmethyl)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(pyridin-3-ylmethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate
PubChem CID10908122
Molecular FormulaC34H36FN5O4
Molecular Weight597.69 g/mol
Exact Mass597.28
IUPAC Namemethyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-3-ylmethyl)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)Cc1cccnc1
InChIInChI=1S/C34H36FN5O4/c1-22-29(24-13-9-14-26(17-24)43-5)31(41)40-28(21-38(4)19-23-11-10-16-36-18-23)30(34(2,3)32(42)44-6)37-33(40)39(22)20-25-12-7-8-15-27(25)35/h7-18H,19-21H2,1-6H3
InChIKeyZJUUGQZKUKRZMY-UHFFFAOYSA-N
XLogP5.15
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.69
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]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]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-3-ylmethyl)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(pyridin-3-ylmethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate (CID 10908122) is methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-3-ylmethyl)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(pyridin-3-ylmethyl)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(pyridin-3-ylmethyl)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)Cc1cccnc1.
What is the InChIKey of methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate?
The InChIKey is ZJUUGQZKUKRZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36FN5O4/c1-22-29(24-13-9-14-26(17-24)43-5)31(41)40-28(21-38(4)19-23-11-10-16-36-18-23)30(34(2,3)32(42)44-6)37-33(40)39(22)20-25-12-7-8-15-27(25)35/h7-18H,19-21H2,1-6H3.
What are the key properties of methyl 2-[8-[(2-fluorophenyl)methyl]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-3-ylmethyl)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(pyridin-3-ylmethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate has a molecular weight of 597.69 g/mol, XLogP of 5.15, 10 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]-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-5-oxoimidazo[1,2-a]pyrimidin-2-yl]-2-methylpropanoate is sourced from PubChem (CID 10908122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).