1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine

C202H297F6N19O8S — CID 165019027

IUPAC1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC.C.C.C.C.C.C.C=C1NCc2c1cccc2C(C)C.CC(C)C1=CC(=O)N(C)CC1.CC(C)C1CCN(C(=O)N2CCCC2)CC1.CC(C)c1cccc2c1CC(=O)C2.CC(C)c1cccc2c1CN(C)C2=O.CC(C)c1ccccc1C(C)(F)F.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cccnc1-c1ccccc1.CC(C)c1cccnc1-c1cncs1.CC(C)c1cccnc1C(F)(F)F.CC(C)c1ccnc2c1CC(=O)C2.CC1=CCC(C)=C1C(C)C.CCc1ccc(C(C)C)c(C)n1.Cc1[nH]c(=O)ccc1C(C)C.Cc1c(F)cncc1C(C)C.Cc1ccccc1C(C)C.Cc1nc(N)ccc1C(C)C.Cc1nn(CC(N)=O)c(C)c1C(C)C
InChIInChI=1S/C14H15N.C13H24N2O.C13H19NO.C12H15NO.C12H15N.C12H14O.C11H14F2.C11H12N2S.C11H13NO.C11H17N.C10H17N3O.C10H16.C10H14.C9H10F3N.C9H12FN.C9H14N2.C9H15NO.C9H13NO.7CH4/c1-11(2)13-9-6-10-15-14(13)12-7-4-3-5-8-12;1-11(2)12-5-9-15(10-6-12)13(16)14-7-3-4-8-14;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-8(2)9-5-4-6-10-11(9)7-13(3)12(10)14;1-8(2)10-5-4-6-11-9(3)13-7-12(10)11;1-8(2)11-5-3-4-9-6-10(13)7-12(9)11;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-8(2)9-4-3-5-13-11(9)10-6-12-7-14-10;1-7(2)9-3-4-12-11-6-8(13)5-10(9)11;1-5-10-6-7-11(8(2)3)9(4)12-10;1-6(2)10-7(3)12-13(8(10)4)5-9(11)14;1-7(2)10-8(3)5-6-9(10)4;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-4-3-5-13-8(7)9(10,11)12;1-6(2)8-4-11-5-9(10)7(8)3;1-6(2)8-4-5-9(10)11-7(8)3;1-7(2)8-4-5-10(3)9(11)6-8;1-6(2)8-4-5-9(11)10-7(8)3;;;;;;;/h3-11H,1-2H3;11-12H,3-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;4-6,8H,7H2,1-3H3;4-6,8,13H,3,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;3-8H,1-2H3;3-4,7H,5-6H2,1-2H3;6-8H,5H2,1-4H3;6H,5H2,1-4H3,(H2,11,14);5,7H,6H2,1-4H3;4-8H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-6H,1-3H3,(H2,10,11);6-7H,4-5H2,1-3H3;4-6H,1-3H3,(H,10,11);7*1H4
InChIKeyKWIUNWCQFXMBEN-UHFFFAOYSA-N
MW3265.78 g/mol
LogP52.24
Rot. Bonds25

About 1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine

1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 165019027) has the molecular formula C202H297F6N19O8S and a molecular weight of 3265.78 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID165019027
Molecular FormulaC202H297F6N19O8S
Molecular Weight3265.78 g/mol
Exact Mass3263.30
IUPAC Name1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC.C.C.C.C.C.C.C=C1NCc2c1cccc2C(C)C.CC(C)C1=CC(=O)N(C)CC1.CC(C)C1CCN(C(=O)N2CCCC2)CC1.CC(C)c1cccc2c1CC(=O)C2.CC(C)c1cccc2c1CN(C)C2=O.CC(C)c1ccccc1C(C)(F)F.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cccnc1-c1ccccc1.CC(C)c1cccnc1-c1cncs1.CC(C)c1cccnc1C(F)(F)F.CC(C)c1ccnc2c1CC(=O)C2.CC1=CCC(C)=C1C(C)C.CCc1ccc(C(C)C)c(C)n1.Cc1[nH]c(=O)ccc1C(C)C.Cc1c(F)cncc1C(C)C.Cc1ccccc1C(C)C.Cc1nc(N)ccc1C(C)C.Cc1nn(CC(N)=O)c(C)c1C(C)C
InChIInChI=1S/C14H15N.C13H24N2O.C13H19NO.C12H15NO.C12H15N.C12H14O.C11H14F2.C11H12N2S.C11H13NO.C11H17N.C10H17N3O.C10H16.C10H14.C9H10F3N.C9H12FN.C9H14N2.C9H15NO.C9H13NO.7CH4/c1-11(2)13-9-6-10-15-14(13)12-7-4-3-5-8-12;1-11(2)12-5-9-15(10-6-12)13(16)14-7-3-4-8-14;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-8(2)9-5-4-6-10-11(9)7-13(3)12(10)14;1-8(2)10-5-4-6-11-9(3)13-7-12(10)11;1-8(2)11-5-3-4-9-6-10(13)7-12(9)11;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-8(2)9-4-3-5-13-11(9)10-6-12-7-14-10;1-7(2)9-3-4-12-11-6-8(13)5-10(9)11;1-5-10-6-7-11(8(2)3)9(4)12-10;1-6(2)10-7(3)12-13(8(10)4)5-9(11)14;1-7(2)10-8(3)5-6-9(10)4;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-4-3-5-13-8(7)9(10,11)12;1-6(2)8-4-11-5-9(10)7(8)3;1-6(2)8-4-5-9(10)11-7(8)3;1-7(2)8-4-5-10(3)9(11)6-8;1-6(2)8-4-5-9(11)10-7(8)3;;;;;;;/h3-11H,1-2H3;11-12H,3-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;4-6,8H,7H2,1-3H3;4-6,8,13H,3,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;3-8H,1-2H3;3-4,7H,5-6H2,1-2H3;6-8H,5H2,1-4H3;6H,5H2,1-4H3,(H2,11,14);5,7H,6H2,1-4H3;4-8H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-6H,1-3H3,(H2,10,11);6-7H,4-5H2,1-3H3;4-6H,1-3H3,(H,10,11);7*1H4
InChIKeyKWIUNWCQFXMBEN-UHFFFAOYSA-N
XLogP52.24
TPSA345.72 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003265.78
LogP ≤ 552.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

3-[(5,6-difluoro-1H-indol-3-yl)methyl]-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-[(5-fluoro-1H-indol-3-yl)methyl]-1-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]heptan-1-one;3-[(6-fluoro-1H-indol-3-yl)methyl]-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3,4-thiadiazol-2-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)heptan-1-one;7,7,7-trifluoro-3-(1H-indol-3-ylmethyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one
CID 157156159
2-(4-cyclohexylanilino)-6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(2-cyclopentyl-5-methylpyrimidin-4-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(6-cyclopentyl-4-methyl-3-pyridinyl)-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-(2-cyclopentyl-4-methylpyrimidin-5-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-6-pyrrolidin-2-yl-3-pyridinyl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158471280
6-[4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-1-methylimidazol-2-yl]-2-(4-cyclohexylanilino)-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-amino-3-methyliminoprop-1-en-2-yl)pyrimidin-5-yl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-cyclopentylanilino)-6-(4-pyridazin-4-ylphenyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-1-(3-methylimidazol-4-yl)imidazol-4-yl]-8-[2-[methyl(methylsulfanyl)amino]ethyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylimidazol-2-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[5-(1-methylpyrrol-2-yl)-2-pyridinyl]-8-(oxan-4-ylmethyl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;dihydrate
CID 158803126
N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(6-fluoro-3-pyridinyl)indazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-3-ylindazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-4-ylindazole-4-carboxamide;1-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 158867825
N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide
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3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-5-yl]triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-[(2-piperidin-1-ylacetyl)amino]-1,3-thiazol-5-yl]triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-[2-[(2-pyrrolidin-1-ylacetyl)amino]-1,3-thiazol-5-yl]triazol-1-yl]benzamide
CID 160075345
4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 160561814
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-ethyl-6-[5-methyl-2-(1-methylpyrrolidin-3-yl)pyrimidin-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-(4-cyclopentylanilino)-6-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[2-fluoro-4-(1,3,4-thiadiazol-2-yl)phenyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[4-methyl-2-(1-methylpiperidin-2-yl)phenyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[4-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-8-(oxolan-3-yl)-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 161014425
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-8-cyclopentyl-6-[2-(3-methylimidazol-4-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[5-methyl-1-(2-methyl-1,2,4-triazol-3-yl)imidazol-4-yl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-methyl-4-(2-methyltetrazol-5-yl)imidazol-2-yl]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;methane;6-[3-methyl-5-(1,3-thiazol-2-yl)-2-pyridinyl]-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-methyl-4-thiophen-3-ylphenyl)-8-phenyl-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 161654766
4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;4-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)morpholine;2-[methyl-(6-propan-2-yl-3H-indol-2-yl)amino]ethanol;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;4-(4-methyl-5-propan-2-ylpyrimidin-2-yl)piperazin-2-one;2-phenyl-5-propan-2-ylthiophene;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-2-one;1-[4-[5-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone;2-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 161675626
[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(5-fluoro-1H-indazol-3-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(2-phenyl-1H-imidazol-5-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-(1,3-thiazol-2-yl)methanone;[(2R)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]cyclohexyl]-[2-(trifluoromethyl)phenyl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 162287462
[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-morpholin-4-ylmethanone;[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-(cyclohexen-1-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 164974987

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine (CID 165019027) is 1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine is C.C.C.C.C.C.C.C=C1NCc2c1cccc2C(C)C.CC(C)C1=CC(=O)N(C)CC1.CC(C)C1CCN(C(=O)N2CCCC2)CC1.CC(C)c1cccc2c1CC(=O)C2.CC(C)c1cccc2c1CN(C)C2=O.CC(C)c1ccccc1C(C)(F)F.CC(C)c1ccccc1N1CCOCC1.CC(C)c1cccnc1-c1ccccc1.CC(C)c1cccnc1-c1cncs1.CC(C)c1cccnc1C(F)(F)F.CC(C)c1ccnc2c1CC(=O)C2.CC1=CCC(C)=C1C(C)C.CCc1ccc(C(C)C)c(C)n1.Cc1[nH]c(=O)ccc1C(C)C.Cc1c(F)cncc1C(C)C.Cc1ccccc1C(C)C.Cc1nc(N)ccc1C(C)C.Cc1nn(CC(N)=O)c(C)c1C(C)C.
What is the InChIKey of 1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is KWIUNWCQFXMBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C13H24N2O.C13H19NO.C12H15NO.C12H15N.C12H14O.C11H14F2.C11H12N2S.C11H13NO.C11H17N.C10H17N3O.C10H16.C10H14.C9H10F3N.C9H12FN.C9H14N2.C9H15NO.C9H13NO.7CH4/c1-11(2)13-9-6-10-15-14(13)12-7-4-3-5-8-12;1-11(2)12-5-9-15(10-6-12)13(16)14-7-3-4-8-14;1-11(2)12-5-3-4-6-13(12)14-7-9-15-10-8-14;1-8(2)9-5-4-6-10-11(9)7-13(3)12(10)14;1-8(2)10-5-4-6-11-9(3)13-7-12(10)11;1-8(2)11-5-3-4-9-6-10(13)7-12(9)11;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-8(2)9-4-3-5-13-11(9)10-6-12-7-14-10;1-7(2)9-3-4-12-11-6-8(13)5-10(9)11;1-5-10-6-7-11(8(2)3)9(4)12-10;1-6(2)10-7(3)12-13(8(10)4)5-9(11)14;1-7(2)10-8(3)5-6-9(10)4;1-8(2)10-7-5-4-6-9(10)3;1-6(2)7-4-3-5-13-8(7)9(10,11)12;1-6(2)8-4-11-5-9(10)7(8)3;1-6(2)8-4-5-9(10)11-7(8)3;1-7(2)8-4-5-10(3)9(11)6-8;1-6(2)8-4-5-9(11)10-7(8)3;;;;;;;/h3-11H,1-2H3;11-12H,3-10H2,1-2H3;3-6,11H,7-10H2,1-2H3;4-6,8H,7H2,1-3H3;4-6,8,13H,3,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;4-8H,1-3H3;3-8H,1-2H3;3-4,7H,5-6H2,1-2H3;6-8H,5H2,1-4H3;6H,5H2,1-4H3,(H2,11,14);5,7H,6H2,1-4H3;4-8H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;4-6H,1-3H3,(H2,10,11);6-7H,4-5H2,1-3H3;4-6H,1-3H3,(H,10,11);7*1H4.
What are the key properties of 1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine?
1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 3265.78 g/mol, XLogP of 52.24, 25 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylcyclopenta-1,3-diene;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)acetamide;6-ethyl-2-methyl-3-propan-2-ylpyridine;3-fluoro-4-methyl-5-propan-2-ylpyridine;methane;3-methylidene-7-propan-2-yl-1,2-dihydroisoindole;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-2,3-dihydropyridin-6-one;2-methyl-4-propan-2-yl-3H-isoindol-1-one;6-methyl-5-propan-2-ylpyridin-2-amine;6-methyl-5-propan-2-yl-1H-pyridin-2-one;2-phenyl-3-propan-2-ylpyridine;4-propan-2-yl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-propan-2-yl-1,3-dihydroinden-2-one;4-(2-propan-2-ylphenyl)morpholine;(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-1-ylmethanone;5-(3-propan-2-yl-2-pyridinyl)-1,3-thiazole;3-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 165019027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).