2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine

C263H384Cl4F12N22O7S6 — CID 162268850

IUPAC2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1cc(C2CC2)[nH]n1.CC(C)c1cc2cccnc2s1.CC(C)c1cc[nH]c1C1CCCCC1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(F)c(F)c1O.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1cccc(Cl)c1.CC(C)c1ccnc(Cl)c1F.CC(C)c1ccnc2ccccc12.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cn2cccc2[nH]1.CC(C)c1cscn1.CC(C)c1cscn1.CC(C)c1scc2c1OCCO2.COc1ccsc1C(C)C.Cc1c[nH]c(=O)c(C(C)C)c1.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)c(C)c(C(C)C)c1.Cc1cc(F)c(F)c(C(C)C)c1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(Cl)c(C(C)C)c1.Cc1cccnc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1ncoc1C(C)C.Cc1ncsc1C(C)C
InChIInChI=1S/C15H16.C13H21N.C12H13N.C11H15F.C11H14N2.2C10H13Cl.C10H12F2.C10H11NS.C9H11Cl.C9H11F3O.C9H10F2O.C9H14N2.C9H12N2.C9H10N2.C9H13NO.2C9H13N.C9H12O2S.C8H9ClFN.C8H11F3N2.C8H13N.C8H12OS.C7H11NO.C7H11NS.2C6H9NS.13CH4/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-8-9-14-13(12)11-6-4-3-5-7-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-7(2)10-5-8(3)6-11(12)9(10)4;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-6-8(3)4-5-10(9)11;1-6(2)8-4-7(3)5-9(11)10(8)12;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-4-3-5-9(10)6-8;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5(2)6-3-4-7(10)8(11)9(6)12;1-6(2)8-5-9(11-10-8)7-3-4-7;1-7(2)8-6-11-5-3-4-9(11)10-8;1-7(2)9-4-3-8(5-10)6-11-9;1-6(2)8-4-7(3)5-10-9(8)11;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-8(3)5-4-6-10-9;1-6(2)9-8-7(5-12-9)10-3-4-11-8;1-5(2)6-3-4-11-8(9)7(6)10;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-6(2)8-5-4-7(3)9-8;1-6(2)8-7(9-3)4-5-10-8;2*1-5(2)7-6(3)8-4-9-7;2*1-5(2)6-3-8-4-7-6;;;;;;;;;;;;;/h3-12H,1-2H3;8-11,14H,3-7H2,1-2H3;3-9H,1-2H3;5-7H,1-4H3;4-8H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;4-5H,1-3H3;3-5,12H,1-2H3;5-7H,3-4H2,1-2H3,(H,10,11);3-7,10H,1-2H3;3-4,6-7H,1-2H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;5-6H,3-4H2,1-2H3;3-5H,1-2H3;4-5H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;2*3-5H,1-2H3;13*1H4
InChIKeyXMKASZSGKWXTAL-UHFFFAOYSA-N
MW4528.30 g/mol
LogP87.36
Rot. Bonds31

About 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine

2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine (PubChem CID 162268850) has the molecular formula C263H384Cl4F12N22O7S6 and a molecular weight of 4528.30 g/mol. Its IUPAC name is 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine
PubChem CID162268850
Molecular FormulaC263H384Cl4F12N22O7S6
Molecular Weight4528.30 g/mol
Exact Mass4522.73
IUPAC Name2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1cc(C2CC2)[nH]n1.CC(C)c1cc2cccnc2s1.CC(C)c1cc[nH]c1C1CCCCC1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(F)c(F)c1O.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1cccc(Cl)c1.CC(C)c1ccnc(Cl)c1F.CC(C)c1ccnc2ccccc12.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cn2cccc2[nH]1.CC(C)c1cscn1.CC(C)c1cscn1.CC(C)c1scc2c1OCCO2.COc1ccsc1C(C)C.Cc1c[nH]c(=O)c(C(C)C)c1.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)c(C)c(C(C)C)c1.Cc1cc(F)c(F)c(C(C)C)c1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(Cl)c(C(C)C)c1.Cc1cccnc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1ncoc1C(C)C.Cc1ncsc1C(C)C
InChIInChI=1S/C15H16.C13H21N.C12H13N.C11H15F.C11H14N2.2C10H13Cl.C10H12F2.C10H11NS.C9H11Cl.C9H11F3O.C9H10F2O.C9H14N2.C9H12N2.C9H10N2.C9H13NO.2C9H13N.C9H12O2S.C8H9ClFN.C8H11F3N2.C8H13N.C8H12OS.C7H11NO.C7H11NS.2C6H9NS.13CH4/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-8-9-14-13(12)11-6-4-3-5-7-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-7(2)10-5-8(3)6-11(12)9(10)4;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-6-8(3)4-5-10(9)11;1-6(2)8-4-7(3)5-9(11)10(8)12;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-4-3-5-9(10)6-8;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5(2)6-3-4-7(10)8(11)9(6)12;1-6(2)8-5-9(11-10-8)7-3-4-7;1-7(2)8-6-11-5-3-4-9(11)10-8;1-7(2)9-4-3-8(5-10)6-11-9;1-6(2)8-4-7(3)5-10-9(8)11;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-8(3)5-4-6-10-9;1-6(2)9-8-7(5-12-9)10-3-4-11-8;1-5(2)6-3-4-11-8(9)7(6)10;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-6(2)8-5-4-7(3)9-8;1-6(2)8-7(9-3)4-5-10-8;2*1-5(2)7-6(3)8-4-9-7;2*1-5(2)6-3-8-4-7-6;;;;;;;;;;;;;/h3-12H,1-2H3;8-11,14H,3-7H2,1-2H3;3-9H,1-2H3;5-7H,1-4H3;4-8H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;4-5H,1-3H3;3-5,12H,1-2H3;5-7H,3-4H2,1-2H3,(H,10,11);3-7,10H,1-2H3;3-4,6-7H,1-2H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;5-6H,3-4H2,1-2H3;3-5H,1-2H3;4-5H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;2*3-5H,1-2H3;13*1H4
InChIKeyXMKASZSGKWXTAL-UHFFFAOYSA-N
XLogP87.36
TPSA375.85 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms314
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004528.30
LogP ≤ 587.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine with MolForge

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What is the IUPAC name of 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine?
The IUPAC name of 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine (CID 162268850) is 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine?
The canonical SMILES for 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine is C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1cc(C2CC2)[nH]n1.CC(C)c1cc2cccnc2s1.CC(C)c1cc[nH]c1C1CCCCC1.CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(F)c(F)c1O.CC(C)c1ccc2c(c1)ncn2C.CC(C)c1cccc(Cl)c1.CC(C)c1ccnc(Cl)c1F.CC(C)c1ccnc2ccccc12.CC(C)c1cn(C)nc1C(F)(F)F.CC(C)c1cn2cccc2[nH]1.CC(C)c1cscn1.CC(C)c1cscn1.CC(C)c1scc2c1OCCO2.COc1ccsc1C(C)C.Cc1c[nH]c(=O)c(C(C)C)c1.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)c(C)c(C(C)C)c1.Cc1cc(F)c(F)c(C(C)C)c1.Cc1ccc(C(C)C)[nH]1.Cc1ccc(Cl)c(C(C)C)c1.Cc1cccnc1C(C)C.Cc1ccnc(C(C)C)c1.Cc1ncoc1C(C)C.Cc1ncsc1C(C)C.
What is the InChIKey of 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine?
The InChIKey is XMKASZSGKWXTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C13H21N.C12H13N.C11H15F.C11H14N2.2C10H13Cl.C10H12F2.C10H11NS.C9H11Cl.C9H11F3O.C9H10F2O.C9H14N2.C9H12N2.C9H10N2.C9H13NO.2C9H13N.C9H12O2S.C8H9ClFN.C8H11F3N2.C8H13N.C8H12OS.C7H11NO.C7H11NS.2C6H9NS.13CH4/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-8-9-14-13(12)11-6-4-3-5-7-11;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-7(2)10-5-8(3)6-11(12)9(10)4;1-8(2)9-4-5-11-10(6-9)12-7-13(11)3;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-6-8(3)4-5-10(9)11;1-6(2)8-4-7(3)5-9(11)10(8)12;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-4-3-5-9(10)6-8;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-5(2)6-3-4-7(10)8(11)9(6)12;1-6(2)8-5-9(11-10-8)7-3-4-7;1-7(2)8-6-11-5-3-4-9(11)10-8;1-7(2)9-4-3-8(5-10)6-11-9;1-6(2)8-4-7(3)5-10-9(8)11;1-7(2)9-6-8(3)4-5-10-9;1-7(2)9-8(3)5-4-6-10-9;1-6(2)9-8-7(5-12-9)10-3-4-11-8;1-5(2)6-3-4-11-8(9)7(6)10;1-5(2)6-4-13(3)12-7(6)8(9,10)11;1-6(2)8-5-4-7(3)9-8;1-6(2)8-7(9-3)4-5-10-8;2*1-5(2)7-6(3)8-4-9-7;2*1-5(2)6-3-8-4-7-6;;;;;;;;;;;;;/h3-12H,1-2H3;8-11,14H,3-7H2,1-2H3;3-9H,1-2H3;5-7H,1-4H3;4-8H,1-3H3;2*4-7H,1-3H3;4-6H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;4-5H,1-3H3;3-5,12H,1-2H3;5-7H,3-4H2,1-2H3,(H,10,11);3-7,10H,1-2H3;3-4,6-7H,1-2H3;4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;5-6H,3-4H2,1-2H3;3-5H,1-2H3;4-5H,1-3H3;4-6,9H,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;2*3-5H,1-2H3;13*1H4.
What are the key properties of 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine?
2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine has a molecular weight of 4528.30 g/mol, XLogP of 87.36, 31 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-4-propan-2-ylpyridine;1-chloro-4-methyl-2-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-cyclohexyl-3-propan-2-yl-1H-pyrrole;5-cyclopropyl-3-propan-2-yl-1H-pyrazole;1,2-difluoro-5-methyl-3-propan-2-ylbenzene;2,3-difluoro-6-propan-2-ylphenol;1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene;methane;3-methoxy-2-propan-2-ylthiophene;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;3-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1H-pyridin-2-one;2-methyl-5-propan-2-yl-1H-pyrrole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1H-pyrrolo[1,2-a]imidazole;4-propan-2-ylquinoline;bis(4-propan-2-yl-1,3-thiazole);2-propan-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 162268850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).