ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine

C216H330N50O3 — CID 167690423

IUPACethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1c[nH]c2c(=O)[nH]ccc12.CC(C)c1c[nH]c2cccnc12.CC(C)c1c[nH]c2ccncc12.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2n[nH]nc2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccnc2[nH]ncc12.CC(C)c1ccnc2c1CC(=O)N2.CC(C)c1ccnc2cc[nH]c12.CC(C)c1ccnc2nc[nH]c12.CC(C)c1ccnn2ccnc12.CC(C)c1cn2ccnc2cn1.CC(C)c1cnc2[nH]ncc2c1.CC(C)c1cnc2cccnn12.CC(C)c1cnc2cnccn12.CC(C)c1cnc2ncccn12.CC(C)c1cnc2ncccn12.CC(C)c1cnc2nccn2c1.CC(C)c1nccc2[nH]cnc12
InChIInChI=1S/C11H13NO.2C10H12N2O.3C10H12N2.13C9H11N3.19C2H6/c1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-6(2)8-5-12-9-7(8)3-4-11-10(9)13;1-6(2)7-3-4-11-10-8(7)5-9(13)12-10;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-6-12-10-3-4-11-5-9(8)10;1-7(2)8-6-12-9-4-3-5-11-10(8)9;1-6(2)7-3-8-5-11-12-9(8)10-4-7;1-7(2)8-6-12-4-3-10-9(12)5-11-8;1-7(2)8-5-11-9-6-10-3-4-12(8)9;1-7(2)8-5-11-9-10-3-4-12(9)6-8;1-7(2)8-3-4-11-12-6-5-10-9(8)12;1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-6(2)8-9-7(3-4-10-8)11-5-12-9;1-6(2)7-3-4-10-9-8(7)11-5-12-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9;1-6(2)7-3-4-8-9(5-7)11-12-10-8;2*1-7(2)8-6-11-9-10-4-3-5-12(8)9;1-7(2)8-6-10-9-4-3-5-11-12(8)9;19*1-2/h3-5,7H,6H2,1-2H3,(H,12,13);3-6,12H,1-2H3,(H,11,13);3-4,6H,5H2,1-2H3,(H,11,12,13);3*3-7,12H,1-2H3;3-6H,1-2H3,(H,10,11,12);5*3-7H,1-2H3;3-6H,1-2H3,(H,11,12);3*3-6H,1-2H3,(H,10,11,12);3*3-7H,1-2H3;19*1-2H3
InChIKeyWVTJEIOQIZEENK-UHFFFAOYSA-N
MW3675.36 g/mol
LogP58.77
Rot. Bonds19

About ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine

ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 167690423) has the molecular formula C216H330N50O3 and a molecular weight of 3675.36 g/mol. Its IUPAC name is ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Nameethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
PubChem CID167690423
Molecular FormulaC216H330N50O3
Molecular Weight3675.36 g/mol
Exact Mass3672.72
IUPAC Nameethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1c[nH]c2c(=O)[nH]ccc12.CC(C)c1c[nH]c2cccnc12.CC(C)c1c[nH]c2ccncc12.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2n[nH]nc2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccnc2[nH]ncc12.CC(C)c1ccnc2c1CC(=O)N2.CC(C)c1ccnc2cc[nH]c12.CC(C)c1ccnc2nc[nH]c12.CC(C)c1ccnn2ccnc12.CC(C)c1cn2ccnc2cn1.CC(C)c1cnc2[nH]ncc2c1.CC(C)c1cnc2cccnn12.CC(C)c1cnc2cnccn12.CC(C)c1cnc2ncccn12.CC(C)c1cnc2ncccn12.CC(C)c1cnc2nccn2c1.CC(C)c1nccc2[nH]cnc12
InChIInChI=1S/C11H13NO.2C10H12N2O.3C10H12N2.13C9H11N3.19C2H6/c1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-6(2)8-5-12-9-7(8)3-4-11-10(9)13;1-6(2)7-3-4-11-10-8(7)5-9(13)12-10;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-6-12-10-3-4-11-5-9(8)10;1-7(2)8-6-12-9-4-3-5-11-10(8)9;1-6(2)7-3-8-5-11-12-9(8)10-4-7;1-7(2)8-6-12-4-3-10-9(12)5-11-8;1-7(2)8-5-11-9-6-10-3-4-12(8)9;1-7(2)8-5-11-9-10-3-4-12(9)6-8;1-7(2)8-3-4-11-12-6-5-10-9(8)12;1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-6(2)8-9-7(3-4-10-8)11-5-12-9;1-6(2)7-3-4-10-9-8(7)11-5-12-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9;1-6(2)7-3-4-8-9(5-7)11-12-10-8;2*1-7(2)8-6-11-9-10-4-3-5-12(8)9;1-7(2)8-6-10-9-4-3-5-11-12(8)9;19*1-2/h3-5,7H,6H2,1-2H3,(H,12,13);3-6,12H,1-2H3,(H,11,13);3-4,6H,5H2,1-2H3,(H,11,12,13);3*3-7,12H,1-2H3;3-6H,1-2H3,(H,10,11,12);5*3-7H,1-2H3;3-6H,1-2H3,(H,11,12);3*3-6H,1-2H3,(H,10,11,12);3*3-7H,1-2H3;19*1-2H3
InChIKeyWVTJEIOQIZEENK-UHFFFAOYSA-N
XLogP58.77
TPSA655.15 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds19
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003675.36
LogP ≤ 558.77
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Analyze ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine with MolForge

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Related Compounds

ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;3-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-1H-indazole;5-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine
CID 160716198
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157339352
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157181237
ethane;methane;4-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[4,5-c]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;4-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 162021600
ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-2-benzofuran-1-one;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
CID 167644889
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine
CID 162246574
ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine
CID 157276666
5-propan-2-yl-1,3-dihydroindol-2-one;bis(6-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indazole;bis(6-propan-2-yl-1H-indazole);5-propan-2-yl-1H-indole;bis(6-propan-2-yl-1H-indole)
CID 160894284
ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;4-propan-2-yl-3H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylpyrazolo[1,5-b]pyridazine;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine
CID 159331153
6H-cyclopenta[b]pyridine;6H-cyclopenta[c]pyridine;ethane;imidazo[1,2-a]pyrimidine;imidazo[1,5-a]pyrimidine;1H-imidazo[4,5-b]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine
CID 159212472
6-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-yl-7H-purine
CID 156867510
6-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyrazine;3-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-b]pyridine;6-tert-butyl-[1,3]oxazolo[4,5-c]pyridine;5-tert-butylpyrazolo[1,5-a]pyridine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-3H-pyrrolo[2,3-c]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine
CID 160820708

Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine (CID 167690423) is ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1c[nH]c2c(=O)[nH]ccc12.CC(C)c1c[nH]c2cccnc12.CC(C)c1c[nH]c2ccncc12.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2n[nH]nc2c1.CC(C)c1ccc2nccn2n1.CC(C)c1ccnc2[nH]ncc12.CC(C)c1ccnc2c1CC(=O)N2.CC(C)c1ccnc2cc[nH]c12.CC(C)c1ccnc2nc[nH]c12.CC(C)c1ccnn2ccnc12.CC(C)c1cn2ccnc2cn1.CC(C)c1cnc2[nH]ncc2c1.CC(C)c1cnc2cccnn12.CC(C)c1cnc2cnccn12.CC(C)c1cnc2ncccn12.CC(C)c1cnc2ncccn12.CC(C)c1cnc2nccn2c1.CC(C)c1nccc2[nH]cnc12.
What is the InChIKey of ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is WVTJEIOQIZEENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.2C10H12N2O.3C10H12N2.13C9H11N3.19C2H6/c1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;1-6(2)8-5-12-9-7(8)3-4-11-10(9)13;1-6(2)7-3-4-11-10-8(7)5-9(13)12-10;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-6-12-10-3-4-11-5-9(8)10;1-7(2)8-6-12-9-4-3-5-11-10(8)9;1-6(2)7-3-8-5-11-12-9(8)10-4-7;1-7(2)8-6-12-4-3-10-9(12)5-11-8;1-7(2)8-5-11-9-6-10-3-4-12(8)9;1-7(2)8-5-11-9-10-3-4-12(9)6-8;1-7(2)8-3-4-11-12-6-5-10-9(8)12;1-7(2)8-3-4-9-10-5-6-12(9)11-8;1-6(2)8-9-7(3-4-10-8)11-5-12-9;1-6(2)7-3-4-10-9-8(7)11-5-12-9;1-6(2)7-3-4-10-9-8(7)5-11-12-9;1-6(2)7-3-4-8-9(5-7)11-12-10-8;2*1-7(2)8-6-11-9-10-4-3-5-12(8)9;1-7(2)8-6-10-9-4-3-5-11-12(8)9;19*1-2/h3-5,7H,6H2,1-2H3,(H,12,13);3-6,12H,1-2H3,(H,11,13);3-4,6H,5H2,1-2H3,(H,11,12,13);3*3-7,12H,1-2H3;3-6H,1-2H3,(H,10,11,12);5*3-7H,1-2H3;3-6H,1-2H3,(H,11,12);3*3-6H,1-2H3,(H,10,11,12);3*3-7H,1-2H3;19*1-2H3.
What are the key properties of ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine?
ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 3675.36 g/mol, XLogP of 58.77, 19 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;3-propan-2-yl-1,6-dihydropyrrolo[2,3-c]pyridin-7-one;3-propan-2-ylimidazo[1,2-a]pyrazine;6-propan-2-ylimidazo[1,2-a]pyrazine;bis(3-propan-2-ylimidazo[1,2-a]pyrimidine);6-propan-2-ylimidazo[1,2-a]pyrimidine;3-propan-2-ylimidazo[1,2-b]pyridazine;6-propan-2-ylimidazo[1,2-b]pyridazine;8-propan-2-ylimidazo[1,2-b]pyridazine;7-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-propan-2-yl-1H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;5-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;3-propan-2-yl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 167690423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).