5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine

C192H228N34O9 — CID 158795154

IUPAC5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCC(C)c1c[nH]c2cncnc12.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2[nH]ccc2n1.CC(C)c1cnc2[nH]ncc2c1.CC(C)c1cnc2c(c1)CC(=O)N2.CC(C)c1ncc2[nH]ccc2n1
InChIInChI=1S/C11H11NO2.3C11H13NO.2C11H13N.2C10H12N2O.6C10H12N2.C10H12O2.4C9H11N3/c1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;2*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;1-8(2)10-4-3-9-5-6-12-11(9)7-10;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)9-5-8-3-4-11-10(8)12-6-9;2*1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;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;1-6(2)7-3-11-8-4-10-5-12-9(7)8;1-6(2)7-3-8-5-11-12-9(8)10-4-7;1-6(2)9-11-5-8-7(12-9)3-4-10-8;1-6(2)8-5-11-9-7(12-8)3-4-10-9/h3-6H,1-2H3,(H,12,13,14);3*3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H2,11,12,13);6*3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3;3-6,11H,1-2H3;3-6H,1-2H3,(H,10,11,12);3-6,10H,1-2H3;3-6H,1-2H3,(H,10,11)
InChIKeyISTUKEAMHZWYQM-UHFFFAOYSA-N
MW3156.16 g/mol
LogP45.85
Rot. Bonds19

About 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine

5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 158795154) has the molecular formula C192H228N34O9 and a molecular weight of 3156.16 g/mol. Its IUPAC name is 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID158795154
Molecular FormulaC192H228N34O9
Molecular Weight3156.16 g/mol
Exact Mass3153.84
IUPAC Name5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine
SMILESCC(C)c1c[nH]c2cncnc12.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2[nH]ccc2n1.CC(C)c1cnc2[nH]ncc2c1.CC(C)c1cnc2c(c1)CC(=O)N2.CC(C)c1ncc2[nH]ccc2n1
InChIInChI=1S/C11H11NO2.3C11H13NO.2C11H13N.2C10H12N2O.6C10H12N2.C10H12O2.4C9H11N3/c1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;2*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;1-8(2)10-4-3-9-5-6-12-11(9)7-10;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)9-5-8-3-4-11-10(8)12-6-9;2*1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;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;1-6(2)7-3-11-8-4-10-5-12-9(7)8;1-6(2)7-3-8-5-11-12-9(8)10-4-7;1-6(2)9-11-5-8-7(12-9)3-4-10-8;1-6(2)8-5-11-9-7(12-8)3-4-10-9/h3-6H,1-2H3,(H,12,13,14);3*3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H2,11,12,13);6*3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3;3-6,11H,1-2H3;3-6H,1-2H3,(H,10,11,12);3-6,10H,1-2H3;3-6H,1-2H3,(H,10,11)
InChIKeyISTUKEAMHZWYQM-UHFFFAOYSA-N
XLogP45.85
TPSA612.51 Ų
H-Bond Donors19
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003156.16
LogP ≤ 545.85
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1024

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;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine with MolForge

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Related Compounds

2-(1-benzyl-5,5-difluoropiperidin-3-yl)-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;2-[6-cyclopropyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-(6-cyclopropyl-1-methylpiperidin-3-yl)-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[5,5-difluoro-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1H-isoindol-5-yl)ethanone;1-[3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1H-indazol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[(3R)-1-(4H-imidazol-2-ylmethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 159336030
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-1,4-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
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;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide
CID 160958852
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
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
8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;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;8-tert-butyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 163411644
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazol-6-yl]-[3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-benzimidazole-4-carboxamide;7-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazole-5-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
CID 164986662
CID 165016796
CID 165016796
2-(1H-benzimidazol-2-yl)-5-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one;4-[2-(4-fluorophenyl)ethyl]-2-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one;2-(1H-imidazo[4,5-b]pyridin-2-yl)-4-[2-(3-methylpyrazol-1-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 167700729

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;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine (CID 158795154) is 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine is CC(C)c1c[nH]c2cncnc12.CC(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2[nH]ccc2n1.CC(C)c1cnc2[nH]ncc2c1.CC(C)c1cnc2c(c1)CC(=O)N2.CC(C)c1ncc2[nH]ccc2n1.
What is the InChIKey of 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is ISTUKEAMHZWYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.3C11H13NO.2C11H13N.2C10H12N2O.6C10H12N2.C10H12O2.4C9H11N3/c1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;2*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;1-8(2)10-4-3-9-5-6-12-11(9)7-10;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)9-5-8-3-4-11-10(8)12-6-9;2*1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;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;1-6(2)7-3-11-8-4-10-5-12-9(7)8;1-6(2)7-3-8-5-11-12-9(8)10-4-7;1-6(2)9-11-5-8-7(12-9)3-4-10-8;1-6(2)8-5-11-9-7(12-8)3-4-10-9/h3-6H,1-2H3,(H,12,13,14);3*3-5,7H,6H2,1-2H3,(H,12,13);2*3-8,12H,1-2H3;3,5-6H,4H2,1-2H3,(H,11,12,13);3-6H,1-2H3,(H2,11,12,13);6*3-7H,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3;3-6,11H,1-2H3;3-6H,1-2H3,(H,10,11,12);3-6,10H,1-2H3;3-6H,1-2H3,(H,10,11).
What are the key properties of 5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine?
5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 3156.16 g/mol, XLogP of 45.85, 19 rotatable bonds, 19 hydrogen bond donors, and 24 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;5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;5-propan-2-ylisoindole-1,3-dione;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 158795154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).