ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)

C171H266N48O7 — CID 158130904

IUPACethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1[nH]nc2nc[nH]c(=O)c12.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ncnn2n1.CC(C)c1ccc2nncn2n1.CC(C)c1ccc2nnnn2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccn2nnnc2c1.CC(C)c1ccnc2n[nH]nc12.CC(C)c1ccnc2n[nH]nc12.CC(C)c1cn2cnnc2c(=O)[nH]1.CC(C)c1cn2cnnc2cn1.CC(C)c1cn2ncnc2cn1.CC(C)c1cnc2ncnn2c1.CC(C)c1nc2cnccn2n1
InChIInChI=1S/C11H14O.2C11H12O.C10H12O2.2C8H10N4O.10C8H10N4.16C2H6/c2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-5(2)6-3-12-4-9-11-7(12)8(13)10-6;1-4(2)6-5-7(12-11-6)9-3-10-8(5)13;1-6(2)7-4-12-5-10-11-8(12)3-9-7;1-6(2)7-4-12-8(3-9-7)10-5-11-12;1-6(2)7-3-9-8-10-5-11-12(8)4-7;1-6(2)8-10-7-5-9-3-4-12(7)11-8;1-6(2)7-3-4-8-10-9-5-12(8)11-7;1-6(2)7-3-4-8-9-5-10-12(8)11-7;1-6(2)7-3-4-12-8(5-7)9-10-11-12;1-6(2)7-3-4-8-9-10-11-12(8)5-7;2*1-5(2)6-3-4-9-8-7(6)10-12-11-8;16*1-2/h3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-5H,1-2H3,(H,10,13);3-4H,1-2H3,(H2,9,10,11,12,13);8*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12);16*1-2H3
InChIKeyFSTKQWBFFHCCLZ-UHFFFAOYSA-N
MW3106.34 g/mol
LogP43.06
Rot. Bonds16

About ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)

ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) (PubChem CID 158130904) has the molecular formula C171H266N48O7 and a molecular weight of 3106.34 g/mol. Its IUPAC name is ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine).

Molecular Properties

Compound Nameethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
PubChem CID158130904
Molecular FormulaC171H266N48O7
Molecular Weight3106.34 g/mol
Exact Mass3104.19
IUPAC Nameethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1[nH]nc2nc[nH]c(=O)c12.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ncnn2n1.CC(C)c1ccc2nncn2n1.CC(C)c1ccc2nnnn2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccn2nnnc2c1.CC(C)c1ccnc2n[nH]nc12.CC(C)c1ccnc2n[nH]nc12.CC(C)c1cn2cnnc2c(=O)[nH]1.CC(C)c1cn2cnnc2cn1.CC(C)c1cn2ncnc2cn1.CC(C)c1cnc2ncnn2c1.CC(C)c1nc2cnccn2n1
InChIInChI=1S/C11H14O.2C11H12O.C10H12O2.2C8H10N4O.10C8H10N4.16C2H6/c2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-5(2)6-3-12-4-9-11-7(12)8(13)10-6;1-4(2)6-5-7(12-11-6)9-3-10-8(5)13;1-6(2)7-4-12-5-10-11-8(12)3-9-7;1-6(2)7-4-12-8(3-9-7)10-5-11-12;1-6(2)7-3-9-8-10-5-11-12(8)4-7;1-6(2)8-10-7-5-9-3-4-12(7)11-8;1-6(2)7-3-4-8-10-9-5-12(8)11-7;1-6(2)7-3-4-8-9-5-10-12(8)11-7;1-6(2)7-3-4-12-8(5-7)9-10-11-12;1-6(2)7-3-4-8-9-10-11-12(8)5-7;2*1-5(2)6-3-4-9-8-7(6)10-12-11-8;16*1-2/h3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-5H,1-2H3,(H,10,13);3-4H,1-2H3,(H2,9,10,11,12,13);8*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12);16*1-2H3
InChIKeyFSTKQWBFFHCCLZ-UHFFFAOYSA-N
XLogP43.06
TPSA645.01 Ų
H-Bond Donors5
H-Bond Acceptors50
Rotatable Bonds16
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003106.34
LogP ≤ 543.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1050

Analyze ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) with MolForge

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Related Compounds

3-(1,3-benzodioxol-5-yl)-1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one;1-[3-(1,1-difluoroethyl)phenyl]-4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol;5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-N-methylpyridin-2-amine;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone;1-[3-(4-fluorophenyl)phenyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-amine;3-(1-methylpyrazol-4-yl)-1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 157921661
3-(1,3-benzodioxol-5-yl)-1-[(3R)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one;1-[3-(1,1-difluoroethyl)phenyl]-4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol;5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-imidazol-3-ium-3-yl)ethyl]-N-methylpyridin-2-amine;[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-(4-phenylpiperazin-1-yl)methanone;[1-[3-(4-fluorophenyl)phenyl]piperidin-4-yl]-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]azanium;3-(1-methylpyrazol-4-yl)-1-[(3S)-3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 157921662
5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-ylimidazo[1,2-a]pyrazine
CID 158144951
2,2-Difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylfuran;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158154707
5-tert-butyl-3-fluoro-2-methylpyrazolo[1,5-a]pyridine;3-tert-butylimidazo[1,2-a]pyrazine;6-tert-butylimidazo[1,2-a]pyrazine;5-tert-butylpyrazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine;2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;bis(2,2-dimethylpropane);methane;2-methyl-1,3-benzoxazole;2-methyl-3H-indole;6-propan-2-yl-3,4-dihydro-2H-chromene
CID 159092396
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;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[4-fluoro-3-(1H-1,2,4-triazol-5-yl)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 159826550
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
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
N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide;3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-pyrrolo[1,2-c]pyrimidin-3-ylpropan-1-one;3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-([1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-1-one
CID 157135401
1-benzofuran-3-yl-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;(5-methylpyrazin-2-yl)-[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyrazin-2-ylmethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1H-pyrazolo[4,3-b]pyridin-3-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(2H-pyrazolo[3,4-b]pyridin-3-yl)methanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-pyridin-3-ylmethanone;[2-(phenoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl]-(1H-pyrrolo[3,2-b]pyridin-3-yl)methanone
CID 157173523
N-(2-aminophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;(2-benzyl-4,5-dihydroimidazol-1-yl)-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone;N-(3-ethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-pyrrolidin-1-ylmethanone;pyrrolidin-1-yl-[3-(1-tritylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 157232541
3-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(3-furo[2,3-b]pyridin-5-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(3-indolizin-3-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[(3-indolizin-6-ylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one;3-[[3-(2-methylindazol-4-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one;3-[[3-(2-oxo-1,3-dihydroinden-5-yl)phenyl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 157280249

Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)?
The IUPAC name of ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) (CID 158130904) is ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine).
What is the SMILES notation for ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)?
The canonical SMILES for ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1[nH]nc2nc[nH]c(=O)c12.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ncnn2n1.CC(C)c1ccc2nncn2n1.CC(C)c1ccc2nnnn2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccn2nnnc2c1.CC(C)c1ccnc2n[nH]nc12.CC(C)c1ccnc2n[nH]nc12.CC(C)c1cn2cnnc2c(=O)[nH]1.CC(C)c1cn2cnnc2cn1.CC(C)c1cn2ncnc2cn1.CC(C)c1cnc2ncnn2c1.CC(C)c1nc2cnccn2n1.
What is the InChIKey of ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)?
The InChIKey is FSTKQWBFFHCCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.2C11H12O.C10H12O2.2C8H10N4O.10C8H10N4.16C2H6/c2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-5(2)6-3-12-4-9-11-7(12)8(13)10-6;1-4(2)6-5-7(12-11-6)9-3-10-8(5)13;1-6(2)7-4-12-5-10-11-8(12)3-9-7;1-6(2)7-4-12-8(3-9-7)10-5-11-12;1-6(2)7-3-9-8-10-5-11-12(8)4-7;1-6(2)8-10-7-5-9-3-4-12(7)11-8;1-6(2)7-3-4-8-10-9-5-12(8)11-7;1-6(2)7-3-4-8-9-5-10-12(8)11-7;1-6(2)7-3-4-12-8(5-7)9-10-11-12;1-6(2)7-3-4-8-9-10-11-12(8)5-7;2*1-5(2)6-3-4-9-8-7(6)10-12-11-8;16*1-2/h3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;3-5,7H,6H2,1-2H3;3-5H,1-2H3,(H,10,13);3-4H,1-2H3,(H2,9,10,11,12,13);8*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12);16*1-2H3.
What are the key properties of ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)?
ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) has a molecular weight of 3106.34 g/mol, XLogP of 43.06, 16 rotatable bonds, 5 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;6-propan-2-yltetrazolo[1,5-a]pyridine;7-propan-2-yltetrazolo[1,5-a]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;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[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) is sourced from PubChem (CID 158130904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).