8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one

C33H36FN5O3 — CID 11103767

IUPAC8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one
SMILESCOc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)CO)c(CN(C)Cc4ccccn4)n3c2=O)c1
InChIInChI=1S/C33H36FN5O3/c1-22-29(23-12-10-14-26(17-23)42-5)31(41)39-28(20-37(4)19-25-13-8-9-16-35-25)30(33(2,3)21-40)36-32(39)38(22)18-24-11-6-7-15-27(24)34/h6-17,40H,18-21H2,1-5H3
InChIKeyGWEIETCENJJJIW-UHFFFAOYSA-N
MW569.68 g/mol
LogP4.96
Rot. Bonds10

About 8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one

8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one (PubChem CID 11103767) has the molecular formula C33H36FN5O3 and a molecular weight of 569.68 g/mol. Its IUPAC name is 8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one
PubChem CID11103767
Molecular FormulaC33H36FN5O3
Molecular Weight569.68 g/mol
Exact Mass569.28
IUPAC Name8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one
SMILESCOc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)CO)c(CN(C)Cc4ccccn4)n3c2=O)c1
InChIInChI=1S/C33H36FN5O3/c1-22-29(23-12-10-14-26(17-23)42-5)31(41)39-28(20-37(4)19-25-13-8-9-16-35-25)30(33(2,3)21-40)36-32(39)38(22)18-24-11-6-7-15-27(24)34/h6-17,40H,18-21H2,1-5H3
InChIKeyGWEIETCENJJJIW-UHFFFAOYSA-N
XLogP4.96
TPSA84.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.68
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
8-(2-Fluoro-benzyl)-2-(4-methoxy-phenyl)-3-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidine-6-carboxylic acid ethyl ester
CID 44309582
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)-6-(3-methoxy-phenyl)-7-methyl-3-[(methyl-phenethyl-amino)-methyl]-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidin-2-yl}-2-methyl-propionic acid methyl ester
CID 10930118

Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one (CID 11103767) is 8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one is COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)CO)c(CN(C)Cc4ccccn4)n3c2=O)c1.
What is the InChIKey of 8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is GWEIETCENJJJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN5O3/c1-22-29(23-12-10-14-26(17-23)42-5)31(41)39-28(20-37(4)19-25-13-8-9-16-35-25)30(33(2,3)21-40)36-32(39)38(22)18-24-11-6-7-15-27(24)34/h6-17,40H,18-21H2,1-5H3.
What are the key properties of 8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one?
8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 569.68 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluorophenyl)methyl]-2-(1-hydroxy-2-methylpropan-2-yl)-6-(3-methoxyphenyl)-7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 11103767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).