7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole

C241H350F8N22O2S — CID 163477792

IUPAC7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole
SMILESCC(C)c1cc(F)c2c(c1)CCN(C)C2.CC(C)c1cc2c(cc1F)CCN(C)C2.CC(C)c1cc2n(n1)CCN(C)C2.CC(C)c1ccc2c(c1)C(C)(C)N(C)C2.CC(C)c1ccc2c(c1)C1CCC2N1C(C)C.CC(C)c1ccc2c(c1)C1CCCN1CC2.CC(C)c1ccc2c(c1)CCCCO2.CC(C)c1ccc2c(c1)CCN(C(C)C)CC2.CC(C)c1ccc2c(c1)CCN(C)CC2.CC(C)c1ccc2c(c1)CN(C)CC2(F)F.CC(C)c1ccc2c(c1)CN(C)CC21CC1.CC(C)c1ccc2c(c1)CN(C)CCO2.CC(C)c1ccc2c(c1F)CCN(C)C2.CC(C)c1ccc2c(c1F)CN(C)CC2.CC(C)c1cnc2c(c1)CCN(C(C)C)C2.CC(C)c1cnc2c(c1)CCN(CC(F)F)C2.CC(C)c1nc2c(s1)CN(C)CC2.[2H]C([2H])([2H])N1CCc2ccc(C(C)C)cc2C1
InChIInChI=1S/C16H23N.C16H25N.2C15H21N.C14H22N2.2C14H21N.C13H18F2N2.C13H17F2N.4C13H18FN.C13H19NO.C13H19N.C13H18O.C10H17N3.C10H16N2S/c1-10(2)12-5-6-13-14(9-12)16-8-7-15(13)17(16)11(3)4;1-12(2)15-6-5-14-7-9-17(13(3)4)10-8-16(14)11-15;1-11(2)12-4-5-14-13(8-12)9-16(3)10-15(14)6-7-15;1-11(2)13-6-5-12-7-9-16-8-3-4-15(16)14(12)10-13;1-10(2)13-7-12-5-6-16(11(3)4)9-14(12)15-8-13;1-10(2)11-6-7-12-9-15(5)14(3,4)13(12)8-11;1-11(2)13-5-4-12-6-8-15(3)9-7-14(12)10-13;1-9(2)11-5-10-3-4-17(8-13(14)15)7-12(10)16-6-11;1-9(2)10-4-5-12-11(6-10)7-16(3)8-13(12,14)15;1-9(2)12-6-11-8-15(3)5-4-10(11)7-13(12)14;1-9(2)11-6-10-4-5-15(3)8-12(10)13(14)7-11;1-9(2)11-5-4-10-8-15(3)7-6-12(10)13(11)14;1-9(2)11-5-4-10-6-7-15(3)8-12(10)13(11)14;1-10(2)11-4-5-13-12(8-11)9-14(3)6-7-15-13;1-10(2)12-5-4-11-6-7-14(3)9-13(11)8-12;1-10(2)11-6-7-13-12(9-11)5-3-4-8-14-13;1-8(2)10-6-9-7-12(3)4-5-13(9)11-10;1-7(2)10-11-8-4-5-12(3)6-9(8)13-10/h5-6,9-11,15-16H,7-8H2,1-4H3;5-6,11-13H,7-10H2,1-4H3;4-5,8,11H,6-7,9-10H2,1-3H3;5-6,10-11,15H,3-4,7-9H2,1-2H3;7-8,10-11H,5-6,9H2,1-4H3;6-8,10H,9H2,1-5H3;4-5,10-11H,6-9H2,1-3H3;5-6,9,13H,3-4,7-8H2,1-2H3;4-6,9H,7-8H2,1-3H3;2*6-7,9H,4-5,8H2,1-3H3;2*4-5,9H,6-8H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3;6-7,9-10H,3-5,8H2,1-2H3;6,8H,4-5,7H2,1-3H3;7H,4-6H2,1-3H3/i;;;;;;;;;;;;;;3D3;;;
InChIKeyCBYDGXJYFFTRKY-PIOPAPCRSA-N
MW3774.67 g/mol
LogP54.71
Rot. Bonds24

About 7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole

7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole (PubChem CID 163477792) has the molecular formula C241H350F8N22O2S and a molecular weight of 3774.67 g/mol. Its IUPAC name is 7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole.

Molecular Properties

Compound Name7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole
PubChem CID163477792
Molecular FormulaC241H350F8N22O2S
Molecular Weight3774.67 g/mol
Exact Mass3771.77
IUPAC Name7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole
SMILESCC(C)c1cc(F)c2c(c1)CCN(C)C2.CC(C)c1cc2c(cc1F)CCN(C)C2.CC(C)c1cc2n(n1)CCN(C)C2.CC(C)c1ccc2c(c1)C(C)(C)N(C)C2.CC(C)c1ccc2c(c1)C1CCC2N1C(C)C.CC(C)c1ccc2c(c1)C1CCCN1CC2.CC(C)c1ccc2c(c1)CCCCO2.CC(C)c1ccc2c(c1)CCN(C(C)C)CC2.CC(C)c1ccc2c(c1)CCN(C)CC2.CC(C)c1ccc2c(c1)CN(C)CC2(F)F.CC(C)c1ccc2c(c1)CN(C)CC21CC1.CC(C)c1ccc2c(c1)CN(C)CCO2.CC(C)c1ccc2c(c1F)CCN(C)C2.CC(C)c1ccc2c(c1F)CN(C)CC2.CC(C)c1cnc2c(c1)CCN(C(C)C)C2.CC(C)c1cnc2c(c1)CCN(CC(F)F)C2.CC(C)c1nc2c(s1)CN(C)CC2.[2H]C([2H])([2H])N1CCc2ccc(C(C)C)cc2C1
InChIInChI=1S/C16H23N.C16H25N.2C15H21N.C14H22N2.2C14H21N.C13H18F2N2.C13H17F2N.4C13H18FN.C13H19NO.C13H19N.C13H18O.C10H17N3.C10H16N2S/c1-10(2)12-5-6-13-14(9-12)16-8-7-15(13)17(16)11(3)4;1-12(2)15-6-5-14-7-9-17(13(3)4)10-8-16(14)11-15;1-11(2)12-4-5-14-13(8-12)9-16(3)10-15(14)6-7-15;1-11(2)13-6-5-12-7-9-16-8-3-4-15(16)14(12)10-13;1-10(2)13-7-12-5-6-16(11(3)4)9-14(12)15-8-13;1-10(2)11-6-7-12-9-15(5)14(3,4)13(12)8-11;1-11(2)13-5-4-12-6-8-15(3)9-7-14(12)10-13;1-9(2)11-5-10-3-4-17(8-13(14)15)7-12(10)16-6-11;1-9(2)10-4-5-12-11(6-10)7-16(3)8-13(12,14)15;1-9(2)12-6-11-8-15(3)5-4-10(11)7-13(12)14;1-9(2)11-6-10-4-5-15(3)8-12(10)13(14)7-11;1-9(2)11-5-4-10-8-15(3)7-6-12(10)13(11)14;1-9(2)11-5-4-10-6-7-15(3)8-12(10)13(11)14;1-10(2)11-4-5-13-12(8-11)9-14(3)6-7-15-13;1-10(2)12-5-4-11-6-7-14(3)9-13(11)8-12;1-10(2)11-6-7-13-12(9-11)5-3-4-8-14-13;1-8(2)10-6-9-7-12(3)4-5-13(9)11-10;1-7(2)10-11-8-4-5-12(3)6-9(8)13-10/h5-6,9-11,15-16H,7-8H2,1-4H3;5-6,11-13H,7-10H2,1-4H3;4-5,8,11H,6-7,9-10H2,1-3H3;5-6,10-11,15H,3-4,7-9H2,1-2H3;7-8,10-11H,5-6,9H2,1-4H3;6-8,10H,9H2,1-5H3;4-5,10-11H,6-9H2,1-3H3;5-6,9,13H,3-4,7-8H2,1-2H3;4-6,9H,7-8H2,1-3H3;2*6-7,9H,4-5,8H2,1-3H3;2*4-5,9H,6-8H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3;6-7,9-10H,3-5,8H2,1-2H3;6,8H,4-5,7H2,1-3H3;7H,4-6H2,1-3H3/i;;;;;;;;;;;;;;3D3;;;
InChIKeyCBYDGXJYFFTRKY-PIOPAPCRSA-N
XLogP54.71
TPSA130.03 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003774.67
LogP ≤ 554.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole?
The IUPAC name of 7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole (CID 163477792) is 7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole.
What is the SMILES notation for 7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole?
The canonical SMILES for 7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole is CC(C)c1cc(F)c2c(c1)CCN(C)C2.CC(C)c1cc2c(cc1F)CCN(C)C2.CC(C)c1cc2n(n1)CCN(C)C2.CC(C)c1ccc2c(c1)C(C)(C)N(C)C2.CC(C)c1ccc2c(c1)C1CCC2N1C(C)C.CC(C)c1ccc2c(c1)C1CCCN1CC2.CC(C)c1ccc2c(c1)CCCCO2.CC(C)c1ccc2c(c1)CCN(C(C)C)CC2.CC(C)c1ccc2c(c1)CCN(C)CC2.CC(C)c1ccc2c(c1)CN(C)CC2(F)F.CC(C)c1ccc2c(c1)CN(C)CC21CC1.CC(C)c1ccc2c(c1)CN(C)CCO2.CC(C)c1ccc2c(c1F)CCN(C)C2.CC(C)c1ccc2c(c1F)CN(C)CC2.CC(C)c1cnc2c(c1)CCN(C(C)C)C2.CC(C)c1cnc2c(c1)CCN(CC(F)F)C2.CC(C)c1nc2c(s1)CN(C)CC2.[2H]C([2H])([2H])N1CCc2ccc(C(C)C)cc2C1.
What is the InChIKey of 7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole?
The InChIKey is CBYDGXJYFFTRKY-PIOPAPCRSA-N. The full InChI is InChI=1S/C16H23N.C16H25N.2C15H21N.C14H22N2.2C14H21N.C13H18F2N2.C13H17F2N.4C13H18FN.C13H19NO.C13H19N.C13H18O.C10H17N3.C10H16N2S/c1-10(2)12-5-6-13-14(9-12)16-8-7-15(13)17(16)11(3)4;1-12(2)15-6-5-14-7-9-17(13(3)4)10-8-16(14)11-15;1-11(2)12-4-5-14-13(8-12)9-16(3)10-15(14)6-7-15;1-11(2)13-6-5-12-7-9-16-8-3-4-15(16)14(12)10-13;1-10(2)13-7-12-5-6-16(11(3)4)9-14(12)15-8-13;1-10(2)11-6-7-12-9-15(5)14(3,4)13(12)8-11;1-11(2)13-5-4-12-6-8-15(3)9-7-14(12)10-13;1-9(2)11-5-10-3-4-17(8-13(14)15)7-12(10)16-6-11;1-9(2)10-4-5-12-11(6-10)7-16(3)8-13(12,14)15;1-9(2)12-6-11-8-15(3)5-4-10(11)7-13(12)14;1-9(2)11-6-10-4-5-15(3)8-12(10)13(14)7-11;1-9(2)11-5-4-10-8-15(3)7-6-12(10)13(11)14;1-9(2)11-5-4-10-6-7-15(3)8-12(10)13(11)14;1-10(2)11-4-5-13-12(8-11)9-14(3)6-7-15-13;1-10(2)12-5-4-11-6-7-14(3)9-13(11)8-12;1-10(2)11-6-7-13-12(9-11)5-3-4-8-14-13;1-8(2)10-6-9-7-12(3)4-5-13(9)11-10;1-7(2)10-11-8-4-5-12(3)6-9(8)13-10/h5-6,9-11,15-16H,7-8H2,1-4H3;5-6,11-13H,7-10H2,1-4H3;4-5,8,11H,6-7,9-10H2,1-3H3;5-6,10-11,15H,3-4,7-9H2,1-2H3;7-8,10-11H,5-6,9H2,1-4H3;6-8,10H,9H2,1-5H3;4-5,10-11H,6-9H2,1-3H3;5-6,9,13H,3-4,7-8H2,1-2H3;4-6,9H,7-8H2,1-3H3;2*6-7,9H,4-5,8H2,1-3H3;2*4-5,9H,6-8H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3;4-5,8,10H,6-7,9H2,1-3H3;6-7,9-10H,3-5,8H2,1-2H3;6,8H,4-5,7H2,1-3H3;7H,4-6H2,1-3H3/i;;;;;;;;;;;;;;3D3;;;.
What are the key properties of 7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole?
7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole has a molecular weight of 3774.67 g/mol, XLogP of 54.71, 24 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethyl)-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4,4-difluoro-2-methyl-7-propan-2-yl-1,3-dihydroisoquinoline;4,11-di(propan-2-yl)-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene;3,7-di(propan-2-yl)-6,8-dihydro-5H-1,7-naphthyridine;3,7-di(propan-2-yl)-1,2,4,5-tetrahydro-3-benzazepine;5-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-6-propan-2-yl-3,4-dihydro-1H-isoquinoline;8-fluoro-2-methyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-methyl-7-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;2-methyl-7-propan-2-ylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane];3-methyl-7-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepine;9-propan-2-yl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepine;7-propan-2-yl-2-(trideuteriomethyl)-3,4-dihydro-1H-isoquinoline;2,3,3-trimethyl-5-propan-2-yl-1H-isoindole is sourced from PubChem (CID 163477792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).