1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C164H236F2N28O20S — CID 158497226

IUPAC1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESC.C.C.CC(C)C(=O)C1=CC=CC1.CC(C)C(=O)C1=NC=CC1.CC(C)C(=O)c1[nH]ccc1F.CC(C)C(=O)c1ccccn1.CC(C)C(=O)c1ccccn1.CC(C)C(=O)c1cccnc1.CC(C)C(=O)c1ccnc(C(C)C)n1.CC(C)C(=O)c1ccncn1.CC(C)C(=O)c1cn(C)cn1.CC(C)C(=O)c1cncn1C.CC(C)C(=O)c1cnn(C(C)C)c1.CC(C)C(=O)c1csc(C(C)C)n1.CC(C)C(=O)c1ncccc1F.CC(C)C(=O)c1ncccn1.CC(C)C(=O)c1nccn1C.CCOC(=O)Cn1cc(C(=O)C(C)C)nn1.Cc1nn(C)c(C)c1C(=O)C(C)C.Cc1nn(C)cc1C(=O)C(C)C
InChIInChI=1S/C11H16N2O.C10H15N3O3.2C10H16N2O.C10H15NOS.C9H10FNO.C9H14N2O.3C9H11NO.C9H12O.C8H10FNO.3C8H12N2O.2C8H10N2O.C8H11NO.3CH4/c1-7(2)10(14)9-5-6-12-11(13-9)8(3)4;1-4-16-9(14)6-13-5-8(11-12-13)10(15)7(2)3;1-7(2)10(13)9-5-11-12(6-9)8(3)4;1-6(2)10(13)9-7(3)11-12(5)8(9)4;1-6(2)9(12)8-5-13-10(11-8)7(3)4;1-6(2)9(12)8-7(10)4-3-5-11-8;1-6(2)9(12)8-5-11(4)10-7(8)3;1-7(2)9(11)8-4-3-5-10-6-8;2*1-7(2)9(11)8-5-3-4-6-10-8;1-7(2)9(10)8-5-3-4-6-8;1-5(2)8(11)7-6(9)3-4-10-7;1-6(2)8(11)7-4-10(3)5-9-7;1-6(2)8(11)7-4-9-5-10(7)3;1-6(2)7(11)8-9-4-5-10(8)3;1-6(2)8(11)7-3-4-9-5-10-7;1-6(2)7(11)8-9-4-3-5-10-8;1-6(2)8(10)7-4-3-5-9-7;;;/h5-8H,1-4H3;5,7H,4,6H2,1-3H3;5-8H,1-4H3;6H,1-5H3;5-7H,1-4H3;3-6H,1-2H3;5-6H,1-4H3;3*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-5,10H,1-2H3;3*4-6H,1-3H3;2*3-6H,1-2H3;3,5-6H,4H2,1-2H3;3*1H4
InChIKeyHJLFXTAQGGHUJM-UHFFFAOYSA-N
MW2989.93 g/mol
LogP33.77
Rot. Bonds42

About 1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 158497226) has the molecular formula C164H236F2N28O20S and a molecular weight of 2989.93 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID158497226
Molecular FormulaC164H236F2N28O20S
Molecular Weight2989.93 g/mol
Exact Mass2987.80
IUPAC Name1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESC.C.C.CC(C)C(=O)C1=CC=CC1.CC(C)C(=O)C1=NC=CC1.CC(C)C(=O)c1[nH]ccc1F.CC(C)C(=O)c1ccccn1.CC(C)C(=O)c1ccccn1.CC(C)C(=O)c1cccnc1.CC(C)C(=O)c1ccnc(C(C)C)n1.CC(C)C(=O)c1ccncn1.CC(C)C(=O)c1cn(C)cn1.CC(C)C(=O)c1cncn1C.CC(C)C(=O)c1cnn(C(C)C)c1.CC(C)C(=O)c1csc(C(C)C)n1.CC(C)C(=O)c1ncccc1F.CC(C)C(=O)c1ncccn1.CC(C)C(=O)c1nccn1C.CCOC(=O)Cn1cc(C(=O)C(C)C)nn1.Cc1nn(C)c(C)c1C(=O)C(C)C.Cc1nn(C)cc1C(=O)C(C)C
InChIInChI=1S/C11H16N2O.C10H15N3O3.2C10H16N2O.C10H15NOS.C9H10FNO.C9H14N2O.3C9H11NO.C9H12O.C8H10FNO.3C8H12N2O.2C8H10N2O.C8H11NO.3CH4/c1-7(2)10(14)9-5-6-12-11(13-9)8(3)4;1-4-16-9(14)6-13-5-8(11-12-13)10(15)7(2)3;1-7(2)10(13)9-5-11-12(6-9)8(3)4;1-6(2)10(13)9-7(3)11-12(5)8(9)4;1-6(2)9(12)8-5-13-10(11-8)7(3)4;1-6(2)9(12)8-7(10)4-3-5-11-8;1-6(2)9(12)8-5-11(4)10-7(8)3;1-7(2)9(11)8-4-3-5-10-6-8;2*1-7(2)9(11)8-5-3-4-6-10-8;1-7(2)9(10)8-5-3-4-6-8;1-5(2)8(11)7-6(9)3-4-10-7;1-6(2)8(11)7-4-10(3)5-9-7;1-6(2)8(11)7-4-9-5-10(7)3;1-6(2)7(11)8-9-4-5-10(8)3;1-6(2)8(11)7-3-4-9-5-10-7;1-6(2)7(11)8-9-4-3-5-10-8;1-6(2)8(10)7-4-3-5-9-7;;;/h5-8H,1-4H3;5,7H,4,6H2,1-3H3;5-8H,1-4H3;6H,1-5H3;5-7H,1-4H3;3-6H,1-2H3;5-6H,1-4H3;3*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-5,10H,1-2H3;3*4-6H,1-3H3;2*3-6H,1-2H3;3,5-6H,4H2,1-2H3;3*1H4
InChIKeyHJLFXTAQGGHUJM-UHFFFAOYSA-N
XLogP33.77
TPSA641.13 Ų
H-Bond Donors1
H-Bond Acceptors48
Rotatable Bonds42
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002989.93
LogP ≤ 533.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1048

Analyze 1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one with MolForge

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Related Compounds

1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one
CID 157491500
1-[4-[4-(Difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 158029613
1-[4-[4-(Difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 158442581
3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(2-phenylethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 158570745
2-[2-(2,5-Difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 159730871
1-[4-[4-(Difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 160162045
1,1,1-trifluoropropan-2-yl 1-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-cyclopropylimidazo[1,2-a]pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 2-[(3-phenyl-1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(2-piperazin-1-yl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 160652190
1-[4-[4-(Difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 161165312
1-[4-[4-(Difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 161574622
1-[4-[4-(Difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 161649104
1-[4-(4-Tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(1,3-thiazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 157129907
1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(5-methyl-1H-imidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 157203760

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 158497226) is 1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is C.C.C.CC(C)C(=O)C1=CC=CC1.CC(C)C(=O)C1=NC=CC1.CC(C)C(=O)c1[nH]ccc1F.CC(C)C(=O)c1ccccn1.CC(C)C(=O)c1ccccn1.CC(C)C(=O)c1cccnc1.CC(C)C(=O)c1ccnc(C(C)C)n1.CC(C)C(=O)c1ccncn1.CC(C)C(=O)c1cn(C)cn1.CC(C)C(=O)c1cncn1C.CC(C)C(=O)c1cnn(C(C)C)c1.CC(C)C(=O)c1csc(C(C)C)n1.CC(C)C(=O)c1ncccc1F.CC(C)C(=O)c1ncccn1.CC(C)C(=O)c1nccn1C.CCOC(=O)Cn1cc(C(=O)C(C)C)nn1.Cc1nn(C)c(C)c1C(=O)C(C)C.Cc1nn(C)cc1C(=O)C(C)C.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is HJLFXTAQGGHUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C10H15N3O3.2C10H16N2O.C10H15NOS.C9H10FNO.C9H14N2O.3C9H11NO.C9H12O.C8H10FNO.3C8H12N2O.2C8H10N2O.C8H11NO.3CH4/c1-7(2)10(14)9-5-6-12-11(13-9)8(3)4;1-4-16-9(14)6-13-5-8(11-12-13)10(15)7(2)3;1-7(2)10(13)9-5-11-12(6-9)8(3)4;1-6(2)10(13)9-7(3)11-12(5)8(9)4;1-6(2)9(12)8-5-13-10(11-8)7(3)4;1-6(2)9(12)8-7(10)4-3-5-11-8;1-6(2)9(12)8-5-11(4)10-7(8)3;1-7(2)9(11)8-4-3-5-10-6-8;2*1-7(2)9(11)8-5-3-4-6-10-8;1-7(2)9(10)8-5-3-4-6-8;1-5(2)8(11)7-6(9)3-4-10-7;1-6(2)8(11)7-4-10(3)5-9-7;1-6(2)8(11)7-4-9-5-10(7)3;1-6(2)7(11)8-9-4-5-10(8)3;1-6(2)8(11)7-3-4-9-5-10-7;1-6(2)7(11)8-9-4-3-5-10-8;1-6(2)8(10)7-4-3-5-9-7;;;/h5-8H,1-4H3;5,7H,4,6H2,1-3H3;5-8H,1-4H3;6H,1-5H3;5-7H,1-4H3;3-6H,1-2H3;5-6H,1-4H3;3*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-5,10H,1-2H3;3*4-6H,1-3H3;2*3-6H,1-2H3;3,5-6H,4H2,1-2H3;3*1H4.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 2989.93 g/mol, XLogP of 33.77, 42 rotatable bonds, 1 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-2-methylpropan-1-one;1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-one;ethyl 2-[4-(2-methylpropanoyl)triazol-1-yl]acetate;1-(3-fluoro-2-pyridinyl)-2-methylpropan-1-one;1-(3-fluoro-1H-pyrrol-2-yl)-2-methylpropan-1-one;methane;2-methyl-1-(1-methylimidazol-2-yl)propan-1-one;2-methyl-1-(1-methylimidazol-4-yl)propan-1-one;2-methyl-1-(3-methylimidazol-4-yl)propan-1-one;2-methyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-one;2-methyl-1-(2-propan-2-ylpyrimidin-4-yl)propan-1-one;2-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)propan-1-one;bis(2-methyl-1-pyridin-2-ylpropan-1-one);2-methyl-1-pyridin-3-ylpropan-1-one;2-methyl-1-pyrimidin-2-ylpropan-1-one;2-methyl-1-pyrimidin-4-ylpropan-1-one;2-methyl-1-(3H-pyrrol-2-yl)propan-1-one;2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 158497226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).