2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

C181H214Cl12F11N37O10 — CID 159055035

IUPAC2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESC.C.CC(C)c1cc(C(F)(F)F)cn(C)c1=O.CC(C)c1cc(Cl)cc2c1NC(=O)C2.CC(C)c1cc(Cl)ccc1-n1nccn1.CC(C)c1ccc(-n2cccn2)c(Cl)c1.CC(C)c1ccc(-n2cccn2)c(Cl)c1.CC(C)c1ccc(-n2ccnc2)c(Cl)c1.CC(C)c1ccc(-n2nccn2)c(Cl)c1.CC(C)c1ccc(-n2nccn2)c(F)c1.CC(F)Oc1ccc(C(C)C)cc1Cl.CCOc1nc(-n2nccn2)c(C(F)(F)F)cc1C(C)C.COc1ccc(C(C)C)cc1Cl.COc1ccc(Cl)cc1C(C)C.COc1nc(-n2ccnn2)c(Cl)cc1C(C)C.COc1nc(-n2nccn2)c(C(C)C)cc1Cl.COc1nc(-n2nccn2)c(C(F)(F)F)cc1C(C)C.COc1nc(-n2nccn2)c(Cl)cc1C(C)C
InChIInChI=1S/C13H15F3N4O.3C12H13ClN2.C12H13F3N4O.C11H14ClFO.3C11H13ClN4O.2C11H12ClN3.C11H12ClNO.C11H12FN3.2C10H13ClO.C10H12F3NO.2CH4/c1-4-21-12-9(8(2)3)7-10(13(14,15)16)11(19-12)20-17-5-6-18-20;2*1-9(2)10-4-5-12(11(13)8-10)15-7-3-6-14-15;1-9(2)10-3-4-12(11(13)7-10)15-6-5-14-8-15;1-7(2)8-6-9(12(13,14)15)10(18-11(8)20-3)19-16-4-5-17-19;1-7(2)9-4-5-11(10(12)6-9)14-8(3)13;1-7(2)8-6-9(12)10(14-11(8)17-3)16-5-4-13-15-16;1-7(2)8-6-9(12)10(15-11(8)17-3)16-13-4-5-14-16;1-7(2)8-6-9(12)11(17-3)15-10(8)16-13-4-5-14-16;1-8(2)10-7-9(12)3-4-11(10)15-13-5-6-14-15;1-8(2)9-3-4-11(10(12)7-9)15-13-5-6-14-15;1-6(2)9-5-8(12)3-7-4-10(14)13-11(7)9;1-8(2)9-3-4-11(10(12)7-9)15-13-5-6-14-15;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)8-4-5-10(12-3)9(11)6-8;1-6(2)8-4-7(10(11,12)13)5-14(3)9(8)15;;/h5-8H,4H2,1-3H3;3*3-9H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;2*3-8H,1-2H3;3,5-6H,4H2,1-2H3,(H,13,14);3-8H,1-2H3;2*4-7H,1-3H3;4-6H,1-3H3;2*1H4
InChIKeyJXTCSZYOBNYXMH-UHFFFAOYSA-N
MW3702.37 g/mol
LogP50.78
Rot. Bonds37

About 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 159055035) has the molecular formula C181H214Cl12F11N37O10 and a molecular weight of 3702.37 g/mol. Its IUPAC name is 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID159055035
Molecular FormulaC181H214Cl12F11N37O10
Molecular Weight3702.37 g/mol
Exact Mass3694.35
IUPAC Name2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESC.C.CC(C)c1cc(C(F)(F)F)cn(C)c1=O.CC(C)c1cc(Cl)cc2c1NC(=O)C2.CC(C)c1cc(Cl)ccc1-n1nccn1.CC(C)c1ccc(-n2cccn2)c(Cl)c1.CC(C)c1ccc(-n2cccn2)c(Cl)c1.CC(C)c1ccc(-n2ccnc2)c(Cl)c1.CC(C)c1ccc(-n2nccn2)c(Cl)c1.CC(C)c1ccc(-n2nccn2)c(F)c1.CC(F)Oc1ccc(C(C)C)cc1Cl.CCOc1nc(-n2nccn2)c(C(F)(F)F)cc1C(C)C.COc1ccc(C(C)C)cc1Cl.COc1ccc(Cl)cc1C(C)C.COc1nc(-n2ccnn2)c(Cl)cc1C(C)C.COc1nc(-n2nccn2)c(C(C)C)cc1Cl.COc1nc(-n2nccn2)c(C(F)(F)F)cc1C(C)C.COc1nc(-n2nccn2)c(Cl)cc1C(C)C
InChIInChI=1S/C13H15F3N4O.3C12H13ClN2.C12H13F3N4O.C11H14ClFO.3C11H13ClN4O.2C11H12ClN3.C11H12ClNO.C11H12FN3.2C10H13ClO.C10H12F3NO.2CH4/c1-4-21-12-9(8(2)3)7-10(13(14,15)16)11(19-12)20-17-5-6-18-20;2*1-9(2)10-4-5-12(11(13)8-10)15-7-3-6-14-15;1-9(2)10-3-4-12(11(13)7-10)15-6-5-14-8-15;1-7(2)8-6-9(12(13,14)15)10(18-11(8)20-3)19-16-4-5-17-19;1-7(2)9-4-5-11(10(12)6-9)14-8(3)13;1-7(2)8-6-9(12)10(14-11(8)17-3)16-5-4-13-15-16;1-7(2)8-6-9(12)10(15-11(8)17-3)16-13-4-5-14-16;1-7(2)8-6-9(12)11(17-3)15-10(8)16-13-4-5-14-16;1-8(2)10-7-9(12)3-4-11(10)15-13-5-6-14-15;1-8(2)9-3-4-11(10(12)7-9)15-13-5-6-14-15;1-6(2)9-5-8(12)3-7-4-10(14)13-11(7)9;1-8(2)9-3-4-11(10(12)7-9)15-13-5-6-14-15;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)8-4-5-10(12-3)9(11)6-8;1-6(2)8-4-7(10(11,12)13)5-14(3)9(8)15;;/h5-8H,4H2,1-3H3;3*3-9H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;2*3-8H,1-2H3;3,5-6H,4H2,1-2H3,(H,13,14);3-8H,1-2H3;2*4-7H,1-3H3;4-6H,1-3H3;2*1H4
InChIKeyJXTCSZYOBNYXMH-UHFFFAOYSA-N
XLogP50.78
TPSA488.53 Ų
H-Bond Donors1
H-Bond Acceptors46
Rotatable Bonds37
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003702.37
LogP ≤ 550.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1046

Analyze 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one with MolForge

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Related Compounds

6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine
CID 157314629
6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 158885142
2-Chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one;2-(4-methyl-2-propan-2-ylphenyl)triazole
CID 160169729
2-Chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;1-(2-chloro-4-propan-2-ylphenyl)imidazole;1-(2-chloro-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;2-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;5-(2-chloro-4-propan-2-ylphenyl)-1,3-oxazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;1,5-dimethyl-3-propan-2-ylpyridin-2-one;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;1-methoxy-4-methyl-2-propan-2-ylbenzene;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;5-methyl-7-propan-2-yl-1,3-dihydroindol-2-one
CID 160675724
6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine
CID 161593073
N-[[2-(4-tert-butylphenyl)-6-(18F)fluoroimidazo[1,2-b]pyridazin-3-yl]methyl](18F)benzamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide;2-[6-chloro-2-(6-(18F)fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide;2-[6,8-dichloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide;2-[6,8-dichloro-2-[4-(3-(18F)fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide;N,N-diethyl-2-[2-[4-(3-(18F)fluoropropoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 157654913
N-[[2-(4-tert-butylphenyl)-6-fluoroimidazo[1,2-b]pyridazin-3-yl]methyl]benzamide;2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide;2-[6-chloro-2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide;2-[6,8-dichloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide;2-[6,8-dichloro-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methyl-N-phenylacetamide;N,N-diethyl-2-[2-[4-(3-fluoropropoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 157654914
5-chloro-N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxy-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)-2-methoxybenzamide;N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoro-2-methoxy-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxy-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxy-4-(4-methylpiperazin-1-yl)benzamide
CID 157688314
5-chloro-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxy-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)-2-methoxybenzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoro-2-methoxy-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxy-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methoxy-4-(4-methylpiperazin-1-yl)benzamide
CID 157688315
2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide;2-[6-chloro-2-[4-(2-(18F)fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;N,N-diethyl-2-[2-[4-(2-(18F)fluoroethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 157807120
2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide;2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylacetamide;2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide;2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-N-methylacetamide;2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide;2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone;N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 157807121
(5-chloro-2-pyrimidin-2-ylphenyl)-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[5-chloro-2-(triazol-1-yl)phenyl]-[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone;[(2S)-2-[(4-fluorophenoxy)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone
CID 159817085

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 159055035) is 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is C.C.CC(C)c1cc(C(F)(F)F)cn(C)c1=O.CC(C)c1cc(Cl)cc2c1NC(=O)C2.CC(C)c1cc(Cl)ccc1-n1nccn1.CC(C)c1ccc(-n2cccn2)c(Cl)c1.CC(C)c1ccc(-n2cccn2)c(Cl)c1.CC(C)c1ccc(-n2ccnc2)c(Cl)c1.CC(C)c1ccc(-n2nccn2)c(Cl)c1.CC(C)c1ccc(-n2nccn2)c(F)c1.CC(F)Oc1ccc(C(C)C)cc1Cl.CCOc1nc(-n2nccn2)c(C(F)(F)F)cc1C(C)C.COc1ccc(C(C)C)cc1Cl.COc1ccc(Cl)cc1C(C)C.COc1nc(-n2ccnn2)c(Cl)cc1C(C)C.COc1nc(-n2nccn2)c(C(C)C)cc1Cl.COc1nc(-n2nccn2)c(C(F)(F)F)cc1C(C)C.COc1nc(-n2nccn2)c(Cl)cc1C(C)C.
What is the InChIKey of 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is JXTCSZYOBNYXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O.3C12H13ClN2.C12H13F3N4O.C11H14ClFO.3C11H13ClN4O.2C11H12ClN3.C11H12ClNO.C11H12FN3.2C10H13ClO.C10H12F3NO.2CH4/c1-4-21-12-9(8(2)3)7-10(13(14,15)16)11(19-12)20-17-5-6-18-20;2*1-9(2)10-4-5-12(11(13)8-10)15-7-3-6-14-15;1-9(2)10-3-4-12(11(13)7-10)15-6-5-14-8-15;1-7(2)8-6-9(12(13,14)15)10(18-11(8)20-3)19-16-4-5-17-19;1-7(2)9-4-5-11(10(12)6-9)14-8(3)13;1-7(2)8-6-9(12)10(14-11(8)17-3)16-5-4-13-15-16;1-7(2)8-6-9(12)10(15-11(8)17-3)16-13-4-5-14-16;1-7(2)8-6-9(12)11(17-3)15-10(8)16-13-4-5-14-16;1-8(2)10-7-9(12)3-4-11(10)15-13-5-6-14-15;1-8(2)9-3-4-11(10(12)7-9)15-13-5-6-14-15;1-6(2)9-5-8(12)3-7-4-10(14)13-11(7)9;1-8(2)9-3-4-11(10(12)7-9)15-13-5-6-14-15;1-7(2)9-6-8(11)4-5-10(9)12-3;1-7(2)8-4-5-10(12-3)9(11)6-8;1-6(2)8-4-7(10(11,12)13)5-14(3)9(8)15;;/h5-8H,4H2,1-3H3;3*3-9H,1-2H3;4-7H,1-3H3;4-8H,1-3H3;3*4-7H,1-3H3;2*3-8H,1-2H3;3,5-6H,4H2,1-2H3,(H,13,14);3-8H,1-2H3;2*4-7H,1-3H3;4-6H,1-3H3;2*1H4.
What are the key properties of 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 3702.37 g/mol, XLogP of 50.78, 37 rotatable bonds, 1 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-chloro-1-methoxy-4-propan-2-ylbenzene;4-chloro-1-methoxy-2-propan-2-ylbenzene;3-chloro-2-methoxy-5-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-1-yl)pyridine;5-chloro-2-methoxy-3-propan-2-yl-6-(triazol-2-yl)pyridine;5-chloro-7-propan-2-yl-1,3-dihydroindol-2-one;1-(2-chloro-4-propan-2-ylphenyl)imidazole;bis(1-(2-chloro-4-propan-2-ylphenyl)pyrazole);2-(2-chloro-4-propan-2-ylphenyl)triazole;2-(4-chloro-2-propan-2-ylphenyl)triazole;2-ethoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;2-(2-fluoro-4-propan-2-ylphenyl)triazole;methane;2-methoxy-3-propan-2-yl-6-(triazol-2-yl)-5-(trifluoromethyl)pyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 159055035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).