2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine

C180H224F2N18O7 — CID 159547745

IUPAC2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCC(C)c1ccc2c(CN(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2c(c1)CN(CC(F)F)CC2.CC(C)c1ccc2c(c1)CNC(=O)C2.CC(C)c1ccc2c(c1)CNCC21CC1.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1cnc2c(c1)CNCC2.Cc1c(C(C)C)ccc2c1C(=O)NCC2.Cc1cc2c(cc1C(C)C)C(=O)NCC2
InChIInChI=1S/C14H19F2N.C14H20N2.C14H19N.2C13H17NO.C12H15NO.2C12H13N.C11H16N2.C11H11NO2.2C11H13NO.2C11H13N.C10H12N2/c1-10(2)12-4-3-11-5-6-17(9-14(15)16)8-13(11)7-12;1-10(2)11-5-6-13-12(9-16(3)4)8-15-14(13)7-11;1-10(2)11-3-4-13-12(7-11)8-15-9-14(13)5-6-14;1-8(2)11-7-12-10(6-9(11)3)4-5-14-13(12)15;1-8(2)11-5-4-10-6-7-14-13(15)12(10)9(11)3;1-8(2)9-3-4-10-6-12(14)13-7-11(10)5-9;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;2*1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8/h3-4,7,10,14H,5-6,8-9H2,1-2H3;5-8,10,15H,9H2,1-4H3;3-4,7,10,15H,5-6,8-9H2,1-2H3;6-8H,4-5H2,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);3-5,8H,6-7H2,1-2H3,(H,13,14);2*3-9H,1-2H3;5,7-8,12H,3-4,6H2,1-2H3;3-6H,1-2H3,(H,12,13,14);2*3-5,7H,6H2,1-2H3,(H,12,13);2*3-5,7-8H,6H2,1-2H3;3-7H,1-2H3,(H,11,12)
InChIKeyMEZXBLIYXWFFQX-UHFFFAOYSA-N
MW2789.89 g/mol
LogP39.31
Rot. Bonds19

About 2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine

2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 159547745) has the molecular formula C180H224F2N18O7 and a molecular weight of 2789.89 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID159547745
Molecular FormulaC180H224F2N18O7
Molecular Weight2789.89 g/mol
Exact Mass2787.77
IUPAC Name2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESCC(C)c1ccc2c(CN(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2c(c1)CN(CC(F)F)CC2.CC(C)c1ccc2c(c1)CNC(=O)C2.CC(C)c1ccc2c(c1)CNCC21CC1.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1cnc2c(c1)CNCC2.Cc1c(C(C)C)ccc2c1C(=O)NCC2.Cc1cc2c(cc1C(C)C)C(=O)NCC2
InChIInChI=1S/C14H19F2N.C14H20N2.C14H19N.2C13H17NO.C12H15NO.2C12H13N.C11H16N2.C11H11NO2.2C11H13NO.2C11H13N.C10H12N2/c1-10(2)12-4-3-11-5-6-17(9-14(15)16)8-13(11)7-12;1-10(2)11-5-6-13-12(9-16(3)4)8-15-14(13)7-11;1-10(2)11-3-4-13-12(7-11)8-15-9-14(13)5-6-14;1-8(2)11-7-12-10(6-9(11)3)4-5-14-13(12)15;1-8(2)11-5-4-10-6-7-14-13(15)12(10)9(11)3;1-8(2)9-3-4-10-6-12(14)13-7-11(10)5-9;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;2*1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8/h3-4,7,10,14H,5-6,8-9H2,1-2H3;5-8,10,15H,9H2,1-4H3;3-4,7,10,15H,5-6,8-9H2,1-2H3;6-8H,4-5H2,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);3-5,8H,6-7H2,1-2H3,(H,13,14);2*3-9H,1-2H3;5,7-8,12H,3-4,6H2,1-2H3;3-6H,1-2H3,(H,12,13,14);2*3-5,7H,6H2,1-2H3,(H,12,13);2*3-5,7-8H,6H2,1-2H3;3-7H,1-2H3,(H,11,12)
InChIKeyMEZXBLIYXWFFQX-UHFFFAOYSA-N
XLogP39.31
TPSA330.07 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002789.89
LogP ≤ 539.31
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine with MolForge

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Related Compounds

6-[2-[9-[6-[(6S,8R)-7-(2,2-difluoroethyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 164923489
2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 164923669
6-[2-[9-[4-[(6S,8R)-7-(2,2-difluoroethyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3,5-difluorophenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 164924072
6-[2-[9-[3,5-difluoro-4-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 172444336
1-[[7-(difluoromethyl)-1-[1-ethyl-3-(methylcarbamoyl)indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methylindole-3-carboxamide
CID 132181495
N-[2-[4-[7-(difluoromethyl)-1-[1-[[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-7-propylbenzimidazol-5-yl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-7-methyl-3-(methylcarbamoyl)indol-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]ethyl]-1-methyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide
CID 132181762
N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137087958
N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137102862
N-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanoylamino]butyl]-7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridine-1-carboxamide
CID 155151662
5-(5-amino-3-pyridinyl)-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157161323
5-(5-amino-3-pyridinyl)-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 157165576
(4R)-4-[3-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-indazol-1-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-(3-quinolin-3-yl-2-pyridinyl)ethyl]acetamide
CID 157181828

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 159547745) is 2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine is CC(C)c1ccc2c(CN(C)C)c[nH]c2c1.CC(C)c1ccc2c(c1)C(=O)NC2.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2c(c1)C=NC2.CC(C)c1ccc2c(c1)CN(CC(F)F)CC2.CC(C)c1ccc2c(c1)CNC(=O)C2.CC(C)c1ccc2c(c1)CNCC21CC1.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1cnc2c(c1)CNCC2.Cc1c(C(C)C)ccc2c1C(=O)NCC2.Cc1cc2c(cc1C(C)C)C(=O)NCC2.
What is the InChIKey of 2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is MEZXBLIYXWFFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N.C14H20N2.C14H19N.2C13H17NO.C12H15NO.2C12H13N.C11H16N2.C11H11NO2.2C11H13NO.2C11H13N.C10H12N2/c1-10(2)12-4-3-11-5-6-17(9-14(15)16)8-13(11)7-12;1-10(2)11-5-6-13-12(9-16(3)4)8-15-14(13)7-11;1-10(2)11-3-4-13-12(7-11)8-15-9-14(13)5-6-14;1-8(2)11-7-12-10(6-9(11)3)4-5-14-13(12)15;1-8(2)11-5-4-10-6-7-14-13(15)12(10)9(11)3;1-8(2)9-3-4-10-6-12(14)13-7-11(10)5-9;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-8(2)9-5-10-6-12-4-3-11(10)13-7-9;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-12-11(13)10(9)5-8;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;2*1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8/h3-4,7,10,14H,5-6,8-9H2,1-2H3;5-8,10,15H,9H2,1-4H3;3-4,7,10,15H,5-6,8-9H2,1-2H3;6-8H,4-5H2,1-3H3,(H,14,15);4-5,8H,6-7H2,1-3H3,(H,14,15);3-5,8H,6-7H2,1-2H3,(H,13,14);2*3-9H,1-2H3;5,7-8,12H,3-4,6H2,1-2H3;3-6H,1-2H3,(H,12,13,14);2*3-5,7H,6H2,1-2H3,(H,12,13);2*3-5,7-8H,6H2,1-2H3;3-7H,1-2H3,(H,11,12).
What are the key properties of 2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine?
2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 2789.89 g/mol, XLogP of 39.31, 19 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;6-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;8-methyl-7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-1H-indazole;bis(5-propan-2-yl-1H-isoindole);5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];3-propan-2-yl-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 159547745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).