ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C264H386N22O2S2 — CID 159722420

IUPACethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CNC2.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1C(=O)NC2.CC(C)c1cccc2c1CCC2=O.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1CNC2.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2nccnc12.CC(C)c1cccn2cncc12.CC(C)c1cccn2nccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2cnccc12.CC(C)c1csc2c1CCNC2.CC(C)c1csc2ccccc12
InChIInChI=1S/6C12H13N.C12H14O.C12H16.2C11H12N2.C11H13NO.3C11H15N.C11H13N.C11H12S.3C10H12N2.C10H15NS.20C2H6/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)11-7-13-6-9-5-12-4-3-10(9)11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-7(2)9-5-3-4-8-6-12-11(13)10(8)9;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)10-5-3-4-9-6-12-7-11(9)10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-8(2)9-4-3-5-12-7-11-6-10(9)12;1-7(2)9-6-12-10-5-11-4-3-8(9)10;20*1-2/h6*3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;6-9H,3-5H2,1-2H3;2*3-8H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);3*3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;4*3-8H,1-2H3;6-7,11H,3-5H2,1-2H3;20*1-2H3
InChIKeyNAEZRSOVKYNPGC-UHFFFAOYSA-N
MW3964.28 g/mol
LogP79.28
Rot. Bonds20

About ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 159722420) has the molecular formula C264H386N22O2S2 and a molecular weight of 3964.28 g/mol. Its IUPAC name is ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Nameethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID159722420
Molecular FormulaC264H386N22O2S2
Molecular Weight3964.28 g/mol
Exact Mass3961.02
IUPAC Nameethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CNC2.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1C(=O)NC2.CC(C)c1cccc2c1CCC2=O.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1CNC2.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2nccnc12.CC(C)c1cccn2cncc12.CC(C)c1cccn2nccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2cnccc12.CC(C)c1csc2c1CCNC2.CC(C)c1csc2ccccc12
InChIInChI=1S/6C12H13N.C12H14O.C12H16.2C11H12N2.C11H13NO.3C11H15N.C11H13N.C11H12S.3C10H12N2.C10H15NS.20C2H6/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)11-7-13-6-9-5-12-4-3-10(9)11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-7(2)9-5-3-4-8-6-12-11(13)10(8)9;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)10-5-3-4-9-6-12-7-11(9)10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-8(2)9-4-3-5-12-7-11-6-10(9)12;1-7(2)9-6-12-10-5-11-4-3-8(9)10;20*1-2/h6*3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;6-9H,3-5H2,1-2H3;2*3-8H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);3*3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;4*3-8H,1-2H3;6-7,11H,3-5H2,1-2H3;20*1-2H3
InChIKeyNAEZRSOVKYNPGC-UHFFFAOYSA-N
XLogP79.28
TPSA290.88 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms290
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003964.28
LogP ≤ 579.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-[2-[3-[2-[(3S)-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-methyl-3H-isoindol-1-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]-2H-quinolin-6-yl]pyridin-3-yl]cyclohexanecarboxamide
CID 145308616
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-[[2-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]indazol-5-yl]pyridin-3-yl]cyclohexanecarboxamide
CID 145650626
3-(1H-benzimidazol-2-yl)-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;N-[[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-cyclopentylmethanamine;3-(1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine;3-methyl-N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 157087490
methane;3-methyl-5-propan-2-yl-1H-benzimidazol-2-one;3-methyl-5-propan-2-yl-1,3-benzothiazol-2-one;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-yl-3H-indol-2-one;3-methyl-6-propan-2-ylisoquinoline;2-methyl-6-propan-2-ylisoquinolin-1-one;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1-benzothiophene;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-1H-indene;6-propan-2-ylisoquinoline;5-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;6-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 157114759
1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridine;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 157193099
1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridine;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 157269542
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157331405
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 157348909
2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-cyano-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-4-oxopyrido[4,3-d]pyrimidine-8-carbonitrile;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-cyano-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]pyridine-3-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-[[(E)-3-[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]prop-2-enyl]amino]pyridine-3-carboxamide
CID 157423692
1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone;1-[5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
CID 158388376
2-cyclobutyl-4-propan-2-yl-1,3-dihydroisoindole;2-(1,1-difluoroethyl)-4-propan-2-yl-1H-benzimidazole;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-ylindazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-(oxetan-3-yl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;1-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)propan-1-one;4-propan-2-yloxane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158491362
6-[[6-(1-Benzothiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;(4-methylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;(4-propan-2-ylpiperazin-1-yl)-[5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]methanone;3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]quinoline;6-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
CID 158591390

Frequently Asked Questions

What is the IUPAC name of ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 159722420) is ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CNC2.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2nccn2c1.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2c1C(=O)NC2.CC(C)c1cccc2c1CCC2=O.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1CNC2.CC(C)c1cccc2cccnc12.CC(C)c1cccc2ccncc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2nccnc12.CC(C)c1cccn2cncc12.CC(C)c1cccn2nccc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cncc2cnccc12.CC(C)c1csc2c1CCNC2.CC(C)c1csc2ccccc12.
What is the InChIKey of ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is NAEZRSOVKYNPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H13N.C12H14O.C12H16.2C11H12N2.C11H13NO.3C11H15N.C11H13N.C11H12S.3C10H12N2.C10H15NS.20C2H6/c1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)11-5-3-4-10-6-7-13-8-12(10)11;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)9-4-3-5-11-10(9)6-7-12(11)13;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-8(2)11-7-13-6-9-5-12-4-3-10(9)11;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-7(2)9-5-3-4-8-6-12-11(13)10(8)9;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)10-5-3-4-9-6-12-7-11(9)10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-8(2)9-4-3-5-12-7-11-6-10(9)12;1-7(2)9-6-12-10-5-11-4-3-8(9)10;20*1-2/h6*3-9H,1-2H3;3-5,8H,6-7H2,1-2H3;6-9H,3-5H2,1-2H3;2*3-8H,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);3*3-5,8,12H,6-7H2,1-2H3;3-8,12H,1-2H3;4*3-8H,1-2H3;6-7,11H,3-5H2,1-2H3;20*1-2H3.
What are the key properties of ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 3964.28 g/mol, XLogP of 79.28, 20 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;7-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yl-1H-indole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-yl-2,7-naphthyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylquinoline;5-propan-2-ylquinoline;7-propan-2-ylquinoline;8-propan-2-ylquinoline;5-propan-2-ylquinoxaline;3-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 159722420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).