5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one

C218H248N32O12 — CID 158497030

IUPAC5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one
SMILESCC(C)c1cc2cncnc2cn1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2[nH]c(=O)cnc2c1.CC(C)c1ccc2[nH]c(=O)ncc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)C(=O)NCC2.CC(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cncnc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2nccnc2n1.CC(C)c1cnc2c(c1)CC(=O)N2.CC(C)c1cnc2ncccc2c1
InChIInChI=1S/2C12H15NO.C12H13NO.2C12H13N.2C11H12N2O.3C11H12N2.C11H11NO2.C11H13NO.C11H13N.2C10H11N3.2C10H12N2O.2C10H12N2.C10H12O2/c1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;2*1-8(2)10-4-3-9-5-6-13-12(14)11(9)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-7(2)8-3-4-10-9(5-8)6-12-11(14)13-10;1-7(2)8-3-4-9-10(5-8)12-6-11(14)13-9;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)9-3-8-4-11-6-13-10(8)5-12-9;1-7(2)8-3-4-9-10(13-8)12-6-5-11-9;1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3,5,7-8H,4,6H2,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3,(H,13,14);3*3-8H,1-2H3;3-6H,1-2H3,(H,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13);3-8,12H,1-2H3;2*3-7H,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H2,11,12,13);2*3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3
InChIKeyHJKNXXMBGBBRMA-UHFFFAOYSA-N
MW3508.59 g/mol
LogP49.69
Rot. Bonds20

About 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one

5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one (PubChem CID 158497030) has the molecular formula C218H248N32O12 and a molecular weight of 3508.59 g/mol. Its IUPAC name is 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one
PubChem CID158497030
Molecular FormulaC218H248N32O12
Molecular Weight3508.59 g/mol
Exact Mass3505.98
IUPAC Name5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one
SMILESCC(C)c1cc2cncnc2cn1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2[nH]c(=O)cnc2c1.CC(C)c1ccc2[nH]c(=O)ncc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)C(=O)NCC2.CC(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cncnc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2nccnc2n1.CC(C)c1cnc2c(c1)CC(=O)N2.CC(C)c1cnc2ncccc2c1
InChIInChI=1S/2C12H15NO.C12H13NO.2C12H13N.2C11H12N2O.3C11H12N2.C11H11NO2.C11H13NO.C11H13N.2C10H11N3.2C10H12N2O.2C10H12N2.C10H12O2/c1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;2*1-8(2)10-4-3-9-5-6-13-12(14)11(9)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-7(2)8-3-4-10-9(5-8)6-12-11(14)13-10;1-7(2)8-3-4-9-10(5-8)12-6-11(14)13-9;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)9-3-8-4-11-6-13-10(8)5-12-9;1-7(2)8-3-4-9-10(13-8)12-6-5-11-9;1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3,5,7-8H,4,6H2,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3,(H,13,14);3*3-8H,1-2H3;3-6H,1-2H3,(H,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13);3-8,12H,1-2H3;2*3-7H,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H2,11,12,13);2*3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3
InChIKeyHJKNXXMBGBBRMA-UHFFFAOYSA-N
XLogP49.69
TPSA620.54 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003508.59
LogP ≤ 549.69
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one with MolForge

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Related Compounds

2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;3,3-dimethyl-5-propan-2-yl-2H-isoindol-1-one;3,3-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)isoindol-1-one;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;3-methyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;molecular hydrogen;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2,3,3-trimethyl-5-propan-2-ylisoindol-1-one
CID 157430738
1-[3-(2,1,3-benzothiadiazol-5-yl)-1H-isoindol-5-yl]-2-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;N-[1-[2-(2,6-difluorophenyl)ethyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;2-[(3S,6R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methoxymethyl)piperidin-3-yl]-1-(3-pyridin-4-yl-1H-indazol-5-yl)ethanone;N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 159449896
2-(2,1,3-Benzothiadiazol-4-yl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;3-(3-methoxyphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)propan-1-one;2-(3-methylphenyl)-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-naphthalen-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;2-naphthalen-2-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone;4-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)butan-1-one
CID 160368156
5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole
CID 160697140
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-1H-benzimidazole-4-carboxylic acid;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-propan-2-ylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 160851026
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(4-propan-2-ylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 160869634
CID 160950855
CID 160950855
4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(1-propan-2-ylazecane);6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 161460794
2-cyclopropyl-1-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]ethanone;2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;4,5-dimethyl-N-[2-[2-(trifluoromethyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide;N-[2-(2-ethyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide;N-[2-(6-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 161497482
3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-quinolin-6-ylbenzamide;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 161704550
1,3-dimethyl-5-propan-2-yl-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N,1-dimethyl-5-propan-2-ylindazol-3-amine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;3-ethyl-1-methyl-6-propan-2-ylindazole;3-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;2-methyl-7-(4-propan-2-yl-2-pyridinyl)isoquinolin-1-one;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-yl-1,3-dihydroisoindole;7-(4-propan-2-yl-2-pyridinyl)-2H-isoquinolin-1-one;6-(4-propan-2-yl-2-pyridinyl)-1,6-naphthyridin-5-one;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 162002068
5-tert-butyl-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;4-tert-butyl-5-fluoro-1H-indole;8-tert-butylisoquinoline;5-tert-butyl-2H-isoquinolin-1-one;4-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;4-tert-butyl-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;8-tert-butyl-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine;5-tert-butylquinazolin-2-amine;5-tert-butyl-1,2,3,4-tetrahydronaphthalene;3-tert-butyl-5-(trifluoromethyl)-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 164966650

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one?
The IUPAC name of 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one (CID 158497030) is 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one.
What is the SMILES notation for 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one?
The canonical SMILES for 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one is CC(C)c1cc2cncnc2cn1.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2[nH]c(=O)cnc2c1.CC(C)c1ccc2[nH]c(=O)ncc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)C(=O)NCC2.CC(C)c1ccc2c(c1)CCC(=O)N2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cc[nH]c(=O)c2c1.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ccncc2c1.CC(C)c1ccc2cncnc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2nccnc2n1.CC(C)c1cnc2c(c1)CC(=O)N2.CC(C)c1cnc2ncccc2c1.
What is the InChIKey of 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one?
The InChIKey is HJKNXXMBGBBRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15NO.C12H13NO.2C12H13N.2C11H12N2O.3C11H12N2.C11H11NO2.C11H13NO.C11H13N.2C10H11N3.2C10H12N2O.2C10H12N2.C10H12O2/c1-8(2)9-3-5-11-10(7-9)4-6-12(14)13-11;2*1-8(2)10-4-3-9-5-6-13-12(14)11(9)7-10;1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-7(2)8-3-4-10-9(5-8)6-12-11(14)13-10;1-7(2)8-3-4-9-10(5-8)12-6-11(14)13-9;1-8(2)9-3-4-10-6-12-7-13-11(10)5-9;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-7(2)9-3-8-4-11-6-13-10(8)5-12-9;1-7(2)8-3-4-9-10(13-8)12-6-5-11-9;1-6(2)8-3-7-4-9(13)12-10(7)11-5-8;1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3,5,7-8H,4,6H2,1-2H3,(H,13,14);3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;3-7H,1-2H3,(H,12,13,14);3-7H,1-2H3,(H,13,14);3*3-8H,1-2H3;3-6H,1-2H3,(H,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13);3-8,12H,1-2H3;2*3-7H,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H2,11,12,13);2*3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3.
What are the key properties of 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one?
5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one has a molecular weight of 3508.59 g/mol, XLogP of 49.69, 20 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;7-propan-2-ylisoquinoline;7-propan-2-yl-2H-isoquinolin-1-one;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylpyrido[3,4-d]pyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-ylquinazoline;6-propan-2-yl-1H-quinazolin-2-one;7-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-1H-quinoxalin-2-one is sourced from PubChem (CID 158497030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).