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

C218H277ClF9N21O12 — CID 161014455

IUPAC2-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
SMILESC=C1C=Cc2c(C(C)C)cccc2N1C.CC(C)c1ccc(F)nc1Cl.CC(C)c1ccc(N(C)C)nc1.CC(C)c1cccc2c(=O)n(C(F)F)ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c(=O)n(CC(F)F)ccc12.CC(C)c1cccc2c1C=CCC2=O.CC(C)c1cccc2c1CCCC2=O.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN(CC(F)(F)F)C2=O.CC(C)c1cccnc1N(C)C.CC(C)c1ccnn1C.CCn1ccc2c(C(C)C)cccc2c1=O.COc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1ncoc1C(C)C.[2H]C([2H])(C)n1ccc2c(C(C)C)cccc2c1=O
InChIInChI=1S/C14H16F3NO.C14H15F2NO.2C14H17NO.C14H17N.C13H13F2NO.C13H17NO.C13H15NO.C13H16O.C13H14O.C12H14N2O.2C10H16N2.C10H15NO.C10H15N.C9H12FN.C8H9ClFN.C7H12N2.C7H11NO/c1-9(2)10-4-3-5-12-11(10)6-7-18(13(12)19)8-14(15,16)17;1-9(2)10-4-3-5-12-11(10)6-7-17(14(12)18)8-13(15)16;2*1-4-15-9-8-12-11(10(2)3)6-5-7-13(12)14(15)16;1-10(2)12-6-5-7-14-13(12)9-8-11(3)15(14)4;1-8(2)9-4-3-5-11-10(9)6-7-16(12(11)17)13(14)15;2*1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;2*1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-8(2)9-5-4-6-10-11(9)13-7-14(3)12(10)15;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)10-6-5-8(3)11-9(10)4;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/h3-5,9H,6-8H2,1-2H3;3-7,9,13H,8H2,1-2H3;2*5-10H,4H2,1-3H3;5-10H,3H2,1-2,4H3;3-8,13H,1-2H3;4-6,9H,7-8H2,1-3H3;4-9H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;2*5-8H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;4-5H,1-3H3/i;;4D2;;;;;;;;;;;;;;;;
InChIKeyTXNUERLCMAGQHM-GPLFDSOFSA-N
MW3592.20 g/mol
LogP53.44
Rot. Bonds28

About 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

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 (PubChem CID 161014455) has the molecular formula C218H277ClF9N21O12 and a molecular weight of 3592.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID161014455
Molecular FormulaC218H277ClF9N21O12
Molecular Weight3592.20 g/mol
Exact Mass3589.14
IUPAC Name2-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
SMILESC=C1C=Cc2c(C(C)C)cccc2N1C.CC(C)c1ccc(F)nc1Cl.CC(C)c1ccc(N(C)C)nc1.CC(C)c1cccc2c(=O)n(C(F)F)ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c(=O)n(CC(F)F)ccc12.CC(C)c1cccc2c1C=CCC2=O.CC(C)c1cccc2c1CCCC2=O.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN(CC(F)(F)F)C2=O.CC(C)c1cccnc1N(C)C.CC(C)c1ccnn1C.CCn1ccc2c(C(C)C)cccc2c1=O.COc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1ncoc1C(C)C.[2H]C([2H])(C)n1ccc2c(C(C)C)cccc2c1=O
InChIInChI=1S/C14H16F3NO.C14H15F2NO.2C14H17NO.C14H17N.C13H13F2NO.C13H17NO.C13H15NO.C13H16O.C13H14O.C12H14N2O.2C10H16N2.C10H15NO.C10H15N.C9H12FN.C8H9ClFN.C7H12N2.C7H11NO/c1-9(2)10-4-3-5-12-11(10)6-7-18(13(12)19)8-14(15,16)17;1-9(2)10-4-3-5-12-11(10)6-7-17(14(12)18)8-13(15)16;2*1-4-15-9-8-12-11(10(2)3)6-5-7-13(12)14(15)16;1-10(2)12-6-5-7-14-13(12)9-8-11(3)15(14)4;1-8(2)9-4-3-5-11-10(9)6-7-16(12(11)17)13(14)15;2*1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;2*1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-8(2)9-5-4-6-10-11(9)13-7-14(3)12(10)15;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)10-6-5-8(3)11-9(10)4;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/h3-5,9H,6-8H2,1-2H3;3-7,9,13H,8H2,1-2H3;2*5-10H,4H2,1-3H3;5-10H,3H2,1-2,4H3;3-8,13H,1-2H3;4-6,9H,7-8H2,1-3H3;4-9H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;2*5-8H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;4-5H,1-3H3/i;;4D2;;;;;;;;;;;;;;;;
InChIKeyTXNUERLCMAGQHM-GPLFDSOFSA-N
XLogP53.44
TPSA359.79 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003592.20
LogP ≤ 553.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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-(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
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
N,N-dibutyl-4-chloro-1-[4-[6-(dimethylamino)-3-pyridinyl]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-4-chloro-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-(3-methoxy-4-pyridinyl)phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-4-chloro-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-(6-methoxy-3-pyridinyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 159544729

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1C=Cc2c(C(C)C)cccc2N1C.CC(C)c1ccc(F)nc1Cl.CC(C)c1ccc(N(C)C)nc1.CC(C)c1cccc2c(=O)n(C(F)F)ccc12.CC(C)c1cccc2c(=O)n(C)ccc12.CC(C)c1cccc2c(=O)n(C)cnc12.CC(C)c1cccc2c(=O)n(CC(F)F)ccc12.CC(C)c1cccc2c1C=CCC2=O.CC(C)c1cccc2c1CCCC2=O.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN(CC(F)(F)F)C2=O.CC(C)c1cccnc1N(C)C.CC(C)c1ccnn1C.CCn1ccc2c(C(C)C)cccc2c1=O.COc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1ncoc1C(C)C.[2H]C([2H])(C)n1ccc2c(C(C)C)cccc2c1=O.
What is the InChIKey of 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?
The InChIKey is TXNUERLCMAGQHM-GPLFDSOFSA-N. The full InChI is InChI=1S/C14H16F3NO.C14H15F2NO.2C14H17NO.C14H17N.C13H13F2NO.C13H17NO.C13H15NO.C13H16O.C13H14O.C12H14N2O.2C10H16N2.C10H15NO.C10H15N.C9H12FN.C8H9ClFN.C7H12N2.C7H11NO/c1-9(2)10-4-3-5-12-11(10)6-7-18(13(12)19)8-14(15,16)17;1-9(2)10-4-3-5-12-11(10)6-7-17(14(12)18)8-13(15)16;2*1-4-15-9-8-12-11(10(2)3)6-5-7-13(12)14(15)16;1-10(2)12-6-5-7-14-13(12)9-8-11(3)15(14)4;1-8(2)9-4-3-5-11-10(9)6-7-16(12(11)17)13(14)15;2*1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;2*1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)14;1-8(2)9-5-4-6-10-11(9)13-7-14(3)12(10)15;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)10-6-5-8(3)11-9(10)4;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/h3-5,9H,6-8H2,1-2H3;3-7,9,13H,8H2,1-2H3;2*5-10H,4H2,1-3H3;5-10H,3H2,1-2,4H3;3-8,13H,1-2H3;4-6,9H,7-8H2,1-3H3;4-9H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;3-7,9H,8H2,1-2H3;4-8H,1-3H3;2*5-8H,1-4H3;5-7H,1-4H3;5-7H,1-4H3;4-6H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;4-5H,1-3H3/i;;4D2;;;;;;;;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 3592.20 g/mol, XLogP of 53.44, 28 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161014455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).