2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one

C228H305ClF5N23O11 — CID 161051734

IUPAC2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one
SMILESCC(C)c1ccc(F)nc1Cl.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cccc2c(=O)[nH]ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN(CC(C)(F)F)C2=O.CC(C)c1cccc2c1CCNC2=O.CC(C)c1cccc2c1ccc(=O)n2C.CC(C)c1cccnc1N(C)C.CC(C)c1ccnn1C.CCc1nc(F)ccc1C(C)C.CCc1ncccc1C(C)C.COc1ccc(C(C)C)c(C)n1.Cc1c(C(C)C)ccc(=O)n1C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1ncoc1C(C)C.[2H]C([2H])([2H])n1ccc2c(C(C)C)cccc2c1=O
InChIInChI=1S/C15H19F2NO.C13H17NO.3C13H15NO.C12H14N2O.C12H15NO.C12H13NO.2C12H16.C10H14FN.2C10H16N2.2C10H15NO.2C10H15N.C9H12FN.C8H9ClFN.C7H12N2.C7H11NO/c1-10(2)11-5-4-6-13-12(11)7-8-18(14(13)19)9-15(3,16)17;3*1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;1-9(2)10-5-4-6-12-11(10)7-8-13(15)14(12)3;1-8(2)9-5-4-6-10-11(9)13-7-14(3)12(10)15;2*1-8(2)9-4-3-5-11-10(9)6-7-13-12(11)14;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-4-9-8(7(2)3)5-6-10(11)12-9;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)9-5-6-10(12-4)11-8(9)3;1-7(2)9-5-6-10(12)11(4)8(9)3;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)8-5-4-7(3)11-9(8)10;1-5(2)6-3-4-7(10)11-8(6)9;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-6,10H,7-9H2,1-3H3;4-6,9H,7-8H2,1-3H3;3*4-9H,1-3H3;4-8H,1-3H3;3-5,8H,6-7H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);3,5,7,9H,4,6,8H2,1-2H3;6-9H,3-5H2,1-2H3;5-7H,4H2,1-3H3;2*5-8H,1-4H3;2*5-7H,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;4-5H,1-3H3/i;;3D3;;;;;;;;;;;;;;;;;;
InChIKeyUCFOAAGQHSZALK-KTLRLMKOSA-N
MW3677.56 g/mol
LogP53.97
Rot. Bonds29

About 2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one

2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one (PubChem CID 161051734) has the molecular formula C228H305ClF5N23O11 and a molecular weight of 3677.56 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one
PubChem CID161051734
Molecular FormulaC228H305ClF5N23O11
Molecular Weight3677.56 g/mol
Exact Mass3674.38
IUPAC Name2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one
SMILESCC(C)c1ccc(F)nc1Cl.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cccc2c(=O)[nH]ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN(CC(C)(F)F)C2=O.CC(C)c1cccc2c1CCNC2=O.CC(C)c1cccc2c1ccc(=O)n2C.CC(C)c1cccnc1N(C)C.CC(C)c1ccnn1C.CCc1nc(F)ccc1C(C)C.CCc1ncccc1C(C)C.COc1ccc(C(C)C)c(C)n1.Cc1c(C(C)C)ccc(=O)n1C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1ncoc1C(C)C.[2H]C([2H])([2H])n1ccc2c(C(C)C)cccc2c1=O
InChIInChI=1S/C15H19F2NO.C13H17NO.3C13H15NO.C12H14N2O.C12H15NO.C12H13NO.2C12H16.C10H14FN.2C10H16N2.2C10H15NO.2C10H15N.C9H12FN.C8H9ClFN.C7H12N2.C7H11NO/c1-10(2)11-5-4-6-13-12(11)7-8-18(14(13)19)9-15(3,16)17;3*1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;1-9(2)10-5-4-6-12-11(10)7-8-13(15)14(12)3;1-8(2)9-5-4-6-10-11(9)13-7-14(3)12(10)15;2*1-8(2)9-4-3-5-11-10(9)6-7-13-12(11)14;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-4-9-8(7(2)3)5-6-10(11)12-9;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)9-5-6-10(12-4)11-8(9)3;1-7(2)9-5-6-10(12)11(4)8(9)3;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)8-5-4-7(3)11-9(8)10;1-5(2)6-3-4-7(10)11-8(6)9;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-6,10H,7-9H2,1-3H3;4-6,9H,7-8H2,1-3H3;3*4-9H,1-3H3;4-8H,1-3H3;3-5,8H,6-7H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);3,5,7,9H,4,6,8H2,1-2H3;6-9H,3-5H2,1-2H3;5-7H,4H2,1-3H3;2*5-8H,1-4H3;2*5-7H,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;4-5H,1-3H3/i;;3D3;;;;;;;;;;;;;;;;;;
InChIKeyUCFOAAGQHSZALK-KTLRLMKOSA-N
XLogP53.97
TPSA388.15 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003677.56
LogP ≤ 553.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 160252553
2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-isoquinolin-1-one
CID 160497269
2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-naphthalen-1-one
CID 160648355
2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 161014455
2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;methane;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-ylthieno[2,3-c]pyridine;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 167570207
2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-3H-pyrrole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylthieno[2,3-c]pyridine
CID 167647650
4-[4-[6-(2-chloro-4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[5-fluoro-6-(4-methoxy-3-pyridinyl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-2-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-[6-(1,3-oxazol-5-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine;4-[4-(6-pyrazin-2-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine;4-[4-(6-pyridazin-4-yl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 159277792

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one?
The IUPAC name of 2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one (CID 161051734) is 2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one.
What is the SMILES notation for 2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one?
The canonical SMILES for 2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one is CC(C)c1ccc(F)nc1Cl.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1cccc2c(=O)[nH]ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN(CC(C)(F)F)C2=O.CC(C)c1cccc2c1CCNC2=O.CC(C)c1cccc2c1ccc(=O)n2C.CC(C)c1cccnc1N(C)C.CC(C)c1ccnn1C.CCc1nc(F)ccc1C(C)C.CCc1ncccc1C(C)C.COc1ccc(C(C)C)c(C)n1.Cc1c(C(C)C)ccc(=O)n1C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1ncoc1C(C)C.[2H]C([2H])([2H])n1ccc2c(C(C)C)cccc2c1=O.
What is the InChIKey of 2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one?
The InChIKey is UCFOAAGQHSZALK-KTLRLMKOSA-N. The full InChI is InChI=1S/C15H19F2NO.C13H17NO.3C13H15NO.C12H14N2O.C12H15NO.C12H13NO.2C12H16.C10H14FN.2C10H16N2.2C10H15NO.2C10H15N.C9H12FN.C8H9ClFN.C7H12N2.C7H11NO/c1-10(2)11-5-4-6-13-12(11)7-8-18(14(13)19)9-15(3,16)17;3*1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;1-9(2)10-5-4-6-12-11(10)7-8-13(15)14(12)3;1-8(2)9-5-4-6-10-11(9)13-7-14(3)12(10)15;2*1-8(2)9-4-3-5-11-10(9)6-7-13-12(11)14;1-9(2)11-7-3-5-10-6-4-8-12(10)11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-4-9-8(7(2)3)5-6-10(11)12-9;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)9-5-6-10(12-4)11-8(9)3;1-7(2)9-5-6-10(12)11(4)8(9)3;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)8-5-4-7(3)11-9(8)10;1-5(2)6-3-4-7(10)11-8(6)9;1-6(2)7-4-5-8-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-6,10H,7-9H2,1-3H3;4-6,9H,7-8H2,1-3H3;3*4-9H,1-3H3;4-8H,1-3H3;3-5,8H,6-7H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);3,5,7,9H,4,6,8H2,1-2H3;6-9H,3-5H2,1-2H3;5-7H,4H2,1-3H3;2*5-8H,1-4H3;2*5-7H,1-4H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;4-5H,1-3H3/i;;3D3;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one?
2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one has a molecular weight of 3677.56 g/mol, XLogP of 53.97, 29 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;1-methyl-5-propan-2-ylquinolin-2-one;4-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-2H-isoquinolin-1-one;5-propan-2-yl-2-(trideuteriomethyl)isoquinolin-1-one is sourced from PubChem (CID 161051734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).