6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one

C158H131F6N27O16 — CID 162009922

IUPAC6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
SMILESCC(F)(F)c1cccc(-n2ccc3nc(COc4ccc(F)cc4)cn3c2=O)c1.Cc1ccc(-n2cc(F)c3nc(COc4ccccc4)cn3c2=O)cc1.Cc1ccc(-n2ccc3nc(COc4ccc(F)cc4)cn3c2=O)cc1.Cc1ccc(-n2ccc3nc(COc4ccccc4)cn3c2=O)cc1F.Cc1ccc(-n2ccc3nc(COc4ccccn4)cn3c2=O)cc1.Cc1ccc(-n2ccc3nc(COc4cccnc4)cn3c2=O)cc1.Cc1ccc(N2CCc3nc(COc4ccccc4)cn3C2=O)cc1.Cc1ccnc(-n2ccc3nc(COc4ccccc4)cn3c2=O)c1
InChIInChI=1S/C21H16F3N3O2.3C20H16FN3O2.C20H19N3O2.3C19H16N4O2/c1-21(23,24)14-3-2-4-17(11-14)26-10-9-19-25-16(12-27(19)20(26)28)13-29-18-7-5-15(22)6-8-18;1-14-2-6-17(7-3-14)23-11-10-19-22-16(12-24(19)20(23)25)13-26-18-8-4-15(21)5-9-18;1-14-7-9-16(10-8-14)23-12-18(21)19-22-15(11-24(19)20(23)25)13-26-17-5-3-2-4-6-17;1-14-7-8-16(11-18(14)21)23-10-9-19-22-15(12-24(19)20(23)25)13-26-17-5-3-2-4-6-17;1-15-7-9-17(10-8-15)22-12-11-19-21-16(13-23(19)20(22)24)14-25-18-5-3-2-4-6-18;1-14-4-6-16(7-5-14)22-10-8-18-21-15(12-23(18)19(22)24)13-25-17-3-2-9-20-11-17;1-14-5-7-16(8-6-14)22-11-9-17-21-15(12-23(17)19(22)24)13-25-18-4-2-3-10-20-18;1-14-7-9-20-18(11-14)22-10-8-17-21-15(12-23(17)19(22)24)13-25-16-5-3-2-4-6-16/h2-12H,13H2,1H3;3*2-12H,13H2,1H3;2-10,13H,11-12,14H2,1H3;3*2-12H,13H2,1H3
InChIKeyYTIJAKMIQCNRAO-UHFFFAOYSA-N
MW2777.95 g/mol
LogP26.95
Rot. Bonds33

About 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one

6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one (PubChem CID 162009922) has the molecular formula C158H131F6N27O16 and a molecular weight of 2777.95 g/mol. Its IUPAC name is 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
PubChem CID162009922
Molecular FormulaC158H131F6N27O16
Molecular Weight2777.95 g/mol
Exact Mass2776.02
IUPAC Name6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one
SMILESCC(F)(F)c1cccc(-n2ccc3nc(COc4ccc(F)cc4)cn3c2=O)c1.Cc1ccc(-n2cc(F)c3nc(COc4ccccc4)cn3c2=O)cc1.Cc1ccc(-n2ccc3nc(COc4ccc(F)cc4)cn3c2=O)cc1.Cc1ccc(-n2ccc3nc(COc4ccccc4)cn3c2=O)cc1F.Cc1ccc(-n2ccc3nc(COc4ccccn4)cn3c2=O)cc1.Cc1ccc(-n2ccc3nc(COc4cccnc4)cn3c2=O)cc1.Cc1ccc(N2CCc3nc(COc4ccccc4)cn3C2=O)cc1.Cc1ccnc(-n2ccc3nc(COc4ccccc4)cn3c2=O)c1
InChIInChI=1S/C21H16F3N3O2.3C20H16FN3O2.C20H19N3O2.3C19H16N4O2/c1-21(23,24)14-3-2-4-17(11-14)26-10-9-19-25-16(12-27(19)20(26)28)13-29-18-7-5-15(22)6-8-18;1-14-2-6-17(7-3-14)23-11-10-19-22-16(12-24(19)20(23)25)13-26-18-8-4-15(21)5-9-18;1-14-7-9-16(10-8-14)23-12-18(21)19-22-15(11-24(19)20(23)25)13-26-17-5-3-2-4-6-17;1-14-7-8-16(11-18(14)21)23-10-9-19-22-15(12-24(19)20(23)25)13-26-17-5-3-2-4-6-17;1-15-7-9-17(10-8-15)22-12-11-19-21-16(13-23(19)20(22)24)14-25-18-5-3-2-4-6-18;1-14-4-6-16(7-5-14)22-10-8-18-21-15(12-23(18)19(22)24)13-25-17-3-2-9-20-11-17;1-14-5-7-16(8-6-14)22-11-9-17-21-15(12-23(17)19(22)24)13-25-18-4-2-3-10-20-18;1-14-7-9-20-18(11-14)22-10-8-17-21-15(12-23(17)19(22)24)13-25-16-5-3-2-4-6-16/h2-12H,13H2,1H3;3*2-12H,13H2,1H3;2-10,13H,11-12,14H2,1H3;3*2-12H,13H2,1H3
InChIKeyYTIJAKMIQCNRAO-UHFFFAOYSA-N
XLogP26.95
TPSA425.74 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds33
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002777.95
LogP ≤ 526.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one with MolForge

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Related Compounds

2-[3-(Fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 118975974
2-(benzimidazol-1-yl)-9-[2-[2-(benzimidazol-1-yl)-9-(2,3-dihydro-1-benzofuran-3-yl)-8-oxopurin-7-yl]-3,4-dihydro-2H-chromen-4-yl]-7-[4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-5-fluoro-3,4-dihydro-2H-chromen-2-yl]purin-8-one
CID 143306634
2-(benzimidazol-1-yl)-7-[(4S)-4-[2-(benzimidazol-1-yl)-8-oxo-7H-purin-9-yl]-6-fluoro-3,4-dihydro-2H-chromen-8-yl]-9-[(4S)-5,6-difluoro-3,4-dihydro-2H-chromen-4-yl]purin-8-one
CID 143306727
(6S)-1-[2-(difluoromethoxy)-6-[[1-[2-(difluoromethoxy)-3-pyridinyl]-6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-3-pyridinyl]-3,6-dimethyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 153629409
N,N-dimethyl-4-[3-methyl-1-[6-[7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]-2-propan-2-yl-3-pyridinyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]aniline
CID 153629419
2-Isocyanato-1-methoxy-4-(trifluoromethyl)benzene;1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea;3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]aniline
CID 157091313
3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-1,5-dimethylimidazo[4,5-b]pyridin-2-one;3-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[[4-[4-(1-cyclopropylethenyl)piperazine-1-carbonyl]cyclohexyl]methyl]-3-methylbenzimidazol-2-one;5-methoxy-1-methyl-3-[[4-[4-(1-methylimidazole-2-carbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one;4-[(5-methoxy-1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)methyl]-N-(3-methoxyphenyl)cyclohexane-1-carboxamide;5-methoxy-1-methyl-3-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]imidazo[4,5-b]pyridin-2-one;1-methyl-3-[[4-(morpholine-4-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one
CID 157107377
CID 157118357
CID 157118357
CID 157147377
CID 157147377
2-(2-cyclopropyloxy-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-ethoxy-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methoxyethoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157232025
1-ethyl-2-methylidene-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;3-[[(3S)-oxan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(3R)-oxan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-(oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-one;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 157374136
3-ethyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-methylidene-1-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[5,4-b]pyridine;2-methylidene-3-propan-2-yl-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;3-methyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 157381794

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one (CID 162009922) is 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one is CC(F)(F)c1cccc(-n2ccc3nc(COc4ccc(F)cc4)cn3c2=O)c1.Cc1ccc(-n2cc(F)c3nc(COc4ccccc4)cn3c2=O)cc1.Cc1ccc(-n2ccc3nc(COc4ccc(F)cc4)cn3c2=O)cc1.Cc1ccc(-n2ccc3nc(COc4ccccc4)cn3c2=O)cc1F.Cc1ccc(-n2ccc3nc(COc4ccccn4)cn3c2=O)cc1.Cc1ccc(-n2ccc3nc(COc4cccnc4)cn3c2=O)cc1.Cc1ccc(N2CCc3nc(COc4ccccc4)cn3C2=O)cc1.Cc1ccnc(-n2ccc3nc(COc4ccccc4)cn3c2=O)c1.
What is the InChIKey of 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is YTIJAKMIQCNRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2.3C20H16FN3O2.C20H19N3O2.3C19H16N4O2/c1-21(23,24)14-3-2-4-17(11-14)26-10-9-19-25-16(12-27(19)20(26)28)13-29-18-7-5-15(22)6-8-18;1-14-2-6-17(7-3-14)23-11-10-19-22-16(12-24(19)20(23)25)13-26-18-8-4-15(21)5-9-18;1-14-7-9-16(10-8-14)23-12-18(21)19-22-15(11-24(19)20(23)25)13-26-17-5-3-2-4-6-17;1-14-7-8-16(11-18(14)21)23-10-9-19-22-15(12-24(19)20(23)25)13-26-17-5-3-2-4-6-17;1-15-7-9-17(10-8-15)22-12-11-19-21-16(13-23(19)20(22)24)14-25-18-5-3-2-4-6-18;1-14-4-6-16(7-5-14)22-10-8-18-21-15(12-23(18)19(22)24)13-25-17-3-2-9-20-11-17;1-14-5-7-16(8-6-14)22-11-9-17-21-15(12-23(17)19(22)24)13-25-18-4-2-3-10-20-18;1-14-7-9-20-18(11-14)22-10-8-17-21-15(12-23(17)19(22)24)13-25-16-5-3-2-4-6-16/h2-12H,13H2,1H3;3*2-12H,13H2,1H3;2-10,13H,11-12,14H2,1H3;3*2-12H,13H2,1H3.
What are the key properties of 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one?
6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 2777.95 g/mol, XLogP of 26.95, 33 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,1-difluoroethyl)phenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-c]pyrimidin-5-one;6-(3-fluoro-4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;8-fluoro-6-(4-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one;2-[(4-fluorophenoxy)methyl]-6-(4-methylphenyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(phenoxymethyl)-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methylphenyl)-2-(pyridin-3-yloxymethyl)imidazo[1,2-c]pyrimidin-5-one;6-(4-methyl-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 162009922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).