2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine

C208H293ClF5N25O5S4 — CID 159520725

IUPAC2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESC.C.C.CC(C)c1c(C(F)(F)F)nn(C)c1Cl.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1cccc(-c2ncn[nH]2)c1.CC(C)c1cccc2c1OC(F)(F)O2.CC(C)c1ccccc1.CC(C)c1cccn1-c1ccccc1.CC(C)c1ccnc(N2CCC2)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cnc2c(c1)OCCN2C.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1.Cc1nc(-c2ccccc2)c(C(C)C)s1.Cc1nc(-c2ccccc2)sc1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nc(N2CCCCC2)sc1C(C)C
InChIInChI=1S/C13H20N2.2C13H15NS.C13H15N.C12H18N2O.C12H20N2S.C12H18N2.C12H17NO.C11H13N3.C11H16N2O.C11H16N2.C10H10F2O2.C10H14.3C9H13N.C9H12.C8H10ClF3N2.C8H13NS.3CH4/c1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-9(2)13-12(14-10(3)15-13)11-7-5-4-6-8-11;1-9(2)12-10(3)14-13(15-12)11-7-5-4-6-8-11;1-11(2)13-9-6-10-14(13)12-7-4-3-5-8-12;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-9(2)11-10(3)13-12(15-11)14-7-5-4-6-8-14;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)9-4-3-5-10(6-9)11-12-7-13-14-11;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;1-9(2)10-4-5-12-11(8-10)13-6-3-7-13;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-8(2)10-7-5-4-6-9(10)3;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-4(2)5-6(8(10,11)12)13-14(3)7(5)9;1-5(2)8-6(3)9-7(4)10-8;;;/h6-7,10-11H,3-5,8-9H2,1-2H3;2*4-9H,1-3H3;3-11H,1-2H3;3-4,9-10H,5-8H2,1-2H3;9H,4-8H2,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;3-8H,1-2H3,(H,12,13,14);6-8H,4-5H2,1-3H3;4-5,8-9H,3,6-7H2,1-2H3;3-6H,1-2H3;4-8H,1-3H3;3*4-7H,1-3H3;3-8H,1-2H3;4H,1-3H3;5H,1-4H3;3*1H4
InChIKeyMBTKZJLECAWPQQ-UHFFFAOYSA-N
MW3482.51 g/mol
LogP57.98
Rot. Bonds28

About 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine

2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine (PubChem CID 159520725) has the molecular formula C208H293ClF5N25O5S4 and a molecular weight of 3482.51 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
PubChem CID159520725
Molecular FormulaC208H293ClF5N25O5S4
Molecular Weight3482.51 g/mol
Exact Mass3479.19
IUPAC Name2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine
SMILESC.C.C.CC(C)c1c(C(F)(F)F)nn(C)c1Cl.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1cccc(-c2ncn[nH]2)c1.CC(C)c1cccc2c1OC(F)(F)O2.CC(C)c1ccccc1.CC(C)c1cccn1-c1ccccc1.CC(C)c1ccnc(N2CCC2)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cnc2c(c1)OCCN2C.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1.Cc1nc(-c2ccccc2)c(C(C)C)s1.Cc1nc(-c2ccccc2)sc1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nc(N2CCCCC2)sc1C(C)C
InChIInChI=1S/C13H20N2.2C13H15NS.C13H15N.C12H18N2O.C12H20N2S.C12H18N2.C12H17NO.C11H13N3.C11H16N2O.C11H16N2.C10H10F2O2.C10H14.3C9H13N.C9H12.C8H10ClF3N2.C8H13NS.3CH4/c1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-9(2)13-12(14-10(3)15-13)11-7-5-4-6-8-11;1-9(2)12-10(3)14-13(15-12)11-7-5-4-6-8-11;1-11(2)13-9-6-10-14(13)12-7-4-3-5-8-12;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-9(2)11-10(3)13-12(15-11)14-7-5-4-6-8-14;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)9-4-3-5-10(6-9)11-12-7-13-14-11;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;1-9(2)10-4-5-12-11(8-10)13-6-3-7-13;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-8(2)10-7-5-4-6-9(10)3;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-4(2)5-6(8(10,11)12)13-14(3)7(5)9;1-5(2)8-6(3)9-7(4)10-8;;;/h6-7,10-11H,3-5,8-9H2,1-2H3;2*4-9H,1-3H3;3-11H,1-2H3;3-4,9-10H,5-8H2,1-2H3;9H,4-8H2,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;3-8H,1-2H3,(H,12,13,14);6-8H,4-5H2,1-3H3;4-5,8-9H,3,6-7H2,1-2H3;3-6H,1-2H3;4-8H,1-3H3;3*4-7H,1-3H3;3-8H,1-2H3;4H,1-3H3;5H,1-4H3;3*1H4
InChIKeyMBTKZJLECAWPQQ-UHFFFAOYSA-N
XLogP57.98
TPSA287.83 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003482.51
LogP ≤ 557.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

4-(2-chlorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole;4-(2-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(3H-pyrrol-2-yl)-1,3-thiazole;4-(2-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(3H-pyrrol-2-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-4-(oxan-4-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 158936950
2-(Azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-3-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;3-propan-2-ylpyridine;bis(4-(4-propan-2-yl-2-pyridinyl)morpholine);4-propan-2-yl-2-pyrrolidin-1-ylpyridine
CID 160672272

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine (CID 159520725) is 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine is C.C.C.CC(C)c1c(C(F)(F)F)nn(C)c1Cl.CC(C)c1ccc2c(c1)OCCN2C.CC(C)c1cccc(-c2ncn[nH]2)c1.CC(C)c1cccc2c1OC(F)(F)O2.CC(C)c1ccccc1.CC(C)c1cccn1-c1ccccc1.CC(C)c1ccnc(N2CCC2)c1.CC(C)c1ccnc(N2CCCC2)c1.CC(C)c1ccnc(N2CCCCC2)c1.CC(C)c1ccnc(N2CCOCC2)c1.CC(C)c1cnc2c(c1)OCCN2C.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cn1.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1.Cc1nc(-c2ccccc2)c(C(C)C)s1.Cc1nc(-c2ccccc2)sc1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nc(N2CCCCC2)sc1C(C)C.
What is the InChIKey of 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
The InChIKey is MBTKZJLECAWPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2.2C13H15NS.C13H15N.C12H18N2O.C12H20N2S.C12H18N2.C12H17NO.C11H13N3.C11H16N2O.C11H16N2.C10H10F2O2.C10H14.3C9H13N.C9H12.C8H10ClF3N2.C8H13NS.3CH4/c1-11(2)12-6-7-14-13(10-12)15-8-4-3-5-9-15;1-9(2)13-12(14-10(3)15-13)11-7-5-4-6-8-11;1-9(2)12-10(3)14-13(15-12)11-7-5-4-6-8-11;1-11(2)13-9-6-10-14(13)12-7-4-3-5-8-12;1-10(2)11-3-4-13-12(9-11)14-5-7-15-8-6-14;1-9(2)11-10(3)13-12(15-11)14-7-5-4-6-8-14;1-10(2)11-5-6-13-12(9-11)14-7-3-4-8-14;1-9(2)10-4-5-11-12(8-10)14-7-6-13(11)3;1-8(2)9-4-3-5-10(6-9)11-12-7-13-14-11;1-8(2)9-6-10-11(12-7-9)13(3)4-5-14-10;1-9(2)10-4-5-12-11(8-10)13-6-3-7-13;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-8(2)10-7-5-4-6-9(10)3;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-5-4-8(3)10-6-9;1-8(2)9-6-4-3-5-7-9;1-4(2)5-6(8(10,11)12)13-14(3)7(5)9;1-5(2)8-6(3)9-7(4)10-8;;;/h6-7,10-11H,3-5,8-9H2,1-2H3;2*4-9H,1-3H3;3-11H,1-2H3;3-4,9-10H,5-8H2,1-2H3;9H,4-8H2,1-3H3;5-6,9-10H,3-4,7-8H2,1-2H3;4-5,8-9H,6-7H2,1-3H3;3-8H,1-2H3,(H,12,13,14);6-8H,4-5H2,1-3H3;4-5,8-9H,3,6-7H2,1-2H3;3-6H,1-2H3;4-8H,1-3H3;3*4-7H,1-3H3;3-8H,1-2H3;4H,1-3H3;5H,1-4H3;3*1H4.
What are the key properties of 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine?
2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine has a molecular weight of 3482.51 g/mol, XLogP of 57.98, 28 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4-propan-2-ylpyridine;5-chloro-1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole;cumene;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;methane;2-methyl-4-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-piperidin-1-yl-5-propan-2-yl-1,3-thiazole;1-methyl-2-propan-2-ylbenzene;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;1-phenyl-2-propan-2-ylpyrrole;2-piperidin-1-yl-4-propan-2-ylpyridine;5-(3-propan-2-ylphenyl)-1H-1,2,4-triazole;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 159520725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).