2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine

C189H243F4N29O5 — CID 162140532

IUPAC2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1ccnc2cc(F)cnc12.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)c1cc2ccncc2[nH]1.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1ccc2ncccc2n1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(C(C)(C)O)c1.CC(C)c1cccc(C(C)O)c1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc2c1OCCO2.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccn(C)n1.CC(C)c1ccncn1.CC(C)c1cn(C)cn1.CC(C)c1cn2ccccc2n1.COc1cc2cc(C(C)C)[nH]c2cn1.Cc1cccc(C(C)C)n1
InChIInChI=1S/C12H13FN2.C12H18O.C11H14N2O.2C11H14N2.C11H12N2.C11H13N.C11H14O2.C11H16O.4C10H12N2.C9H10F3N.C9H10N2.C9H13N.2C7H12N2.C7H10N2/c1-12(2,3)9-4-5-14-10-6-8(13)7-15-11(9)10;1-9(2)10-6-5-7-11(8-10)12(3,4)13;1-7(2)9-4-8-5-11(14-3)12-6-10(8)13-9;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8(2)9-5-6-10-11(13-9)4-3-7-12-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-10(2,3)9-6-4-5-8(7-11)12-9;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-9-7/h4-7H,1-3H3;5-9,13H,1-4H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-8H,1-2H3;3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;4-9,12H,1-3H3;3-7,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3
InChIKeyZJWGKNWBQFFTAN-UHFFFAOYSA-N
MW3077.21 g/mol
LogP48.36
Rot. Bonds18

About 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine

2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine (PubChem CID 162140532) has the molecular formula C189H243F4N29O5 and a molecular weight of 3077.21 g/mol. Its IUPAC name is 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
PubChem CID162140532
Molecular FormulaC189H243F4N29O5
Molecular Weight3077.21 g/mol
Exact Mass3074.96
IUPAC Name2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1ccnc2cc(F)cnc12.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)c1cc2ccncc2[nH]1.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1ccc2ncccc2n1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(C(C)(C)O)c1.CC(C)c1cccc(C(C)O)c1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc2c1OCCO2.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccn(C)n1.CC(C)c1ccncn1.CC(C)c1cn(C)cn1.CC(C)c1cn2ccccc2n1.COc1cc2cc(C(C)C)[nH]c2cn1.Cc1cccc(C(C)C)n1
InChIInChI=1S/C12H13FN2.C12H18O.C11H14N2O.2C11H14N2.C11H12N2.C11H13N.C11H14O2.C11H16O.4C10H12N2.C9H10F3N.C9H10N2.C9H13N.2C7H12N2.C7H10N2/c1-12(2,3)9-4-5-14-10-6-8(13)7-15-11(9)10;1-9(2)10-6-5-7-11(8-10)12(3,4)13;1-7(2)9-4-8-5-11(14-3)12-6-10(8)13-9;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8(2)9-5-6-10-11(13-9)4-3-7-12-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-10(2,3)9-6-4-5-8(7-11)12-9;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-9-7/h4-7H,1-3H3;5-9,13H,1-4H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-8H,1-2H3;3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;4-9,12H,1-3H3;3-7,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3
InChIKeyZJWGKNWBQFFTAN-UHFFFAOYSA-N
XLogP48.36
TPSA445.38 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003077.21
LogP ≤ 548.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[4-[4-[4-(difluoromethyl)phenyl]-5-methyl-1H-imidazol-2-yl]-4-methylpiperidin-1-yl]-7-[[2-[1-[6-[1-(difluoromethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-methylpiperidin-4-yl]-4-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]pyrrolo[2,3-d]pyrimidin-6-yl]benzonitrile
CID 130455743
12-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(piperidin-1-ylmethyl)-3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 157102871
3-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzonitrile;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;6-(oxan-4-ylmethoxy)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanol;4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
CID 157145168
8-(1-cyclopropylpyrazol-4-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
CID 157162550
12-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-3-[(3S)-1-ethyl-3-fluoropiperidin-4-yl]oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;3-(1-ethylpiperidin-4-yl)oxy-12-[4-(morpholin-4-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;3-[(3S)-1-ethylpyrrolidin-3-yl]oxy-12-pyridin-4-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;12-[4-(hydroxymethyl)-3-methoxyphenyl]-3-piperidin-4-yloxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;12-(1-methylpyrazol-4-yl)-3-(1-propylpiperidin-4-yl)oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
CID 157367302
CID 157523316
CID 157523316
12-[4-[(4,4-Difluoropiperidin-1-yl)methyl]phenyl]-3-piperidin-4-yloxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;3-(1-ethylpiperidin-4-yl)oxy-12-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;12-[4-(hydroxymethyl)phenyl]-3-piperidin-4-yloxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;12-[4-(morpholin-4-ylmethyl)phenyl]-3-piperidin-4-yloxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile;3-piperidin-4-yloxy-12-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile
CID 157825522
4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbenzimidazol-5-yl]pyrimidin-2-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrazol-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-pyridin-4-ylbenzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 158062262
12-[3-Ethoxy-4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-methyl-4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[3-methoxy-5-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile;12-[4-(piperidin-1-ylmethyl)-3-(trifluoromethoxy)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 158357061
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazine;3-fluoro-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol;[3-fluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenoxy]-methylphosphinic acid;3-(4-methoxy-3-methylphenyl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-methoxy-4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol;4-[2-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 159024078
4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 159241762
6-(3-cyclobutyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;4-[2-cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)imidazo[1,2-a]pyrazine
CID 159568876

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine (CID 162140532) is 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine is CC(C)(C)c1cccc(C#N)n1.CC(C)(C)c1ccnc2cc(F)cnc12.CC(C)(C)c1cnn2ccccc12.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)c1cc2ccncc2[nH]1.CC(C)c1ccc2cc[nH]c2n1.CC(C)c1ccc2ncccc2n1.CC(C)c1cccc(C#N)n1.CC(C)c1cccc(C(C)(C)O)c1.CC(C)c1cccc(C(C)O)c1.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc2c1OCCO2.CC(C)c1cccc2cc[nH]c12.CC(C)c1ccn(C)n1.CC(C)c1ccncn1.CC(C)c1cn(C)cn1.CC(C)c1cn2ccccc2n1.COc1cc2cc(C(C)C)[nH]c2cn1.Cc1cccc(C(C)C)n1.
What is the InChIKey of 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
The InChIKey is ZJWGKNWBQFFTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2.C12H18O.C11H14N2O.2C11H14N2.C11H12N2.C11H13N.C11H14O2.C11H16O.4C10H12N2.C9H10F3N.C9H10N2.C9H13N.2C7H12N2.C7H10N2/c1-12(2,3)9-4-5-14-10-6-8(13)7-15-11(9)10;1-9(2)10-6-5-7-11(8-10)12(3,4)13;1-7(2)9-4-8-5-11(14-3)12-6-10(8)13-9;1-11(2,3)9-8-12-13-7-5-4-6-10(9)13;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8(2)9-5-6-10-11(13-9)4-3-7-12-10;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-8(2)9-4-3-5-10-11(9)13-7-6-12-10;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)9-4-3-8-5-6-11-10(8)12-9;1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-10(2,3)9-6-4-5-8(7-11)12-9;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-7(2)9-5-3-4-8(6-10)11-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-3-4-8-5-9-7/h4-7H,1-3H3;5-9,13H,1-4H3;4-7,13H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);3-8H,1-2H3;3-8,12H,1-2H3;3-5,8H,6-7H2,1-2H3;4-9,12H,1-3H3;3-7,12H,1-2H3;3-7H,1-2H3,(H,11,12);3-8H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;3-5,7H,1-2H3;4-7H,1-3H3;2*4-6H,1-3H3;3-6H,1-2H3.
What are the key properties of 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine?
2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine has a molecular weight of 3077.21 g/mol, XLogP of 48.36, 18 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-benzimidazole;8-tert-butyl-3-fluoro-1,5-naphthyridine;3-tert-butylpyrazolo[1,5-a]pyridine;6-tert-butylpyridine-2-carbonitrile;5-methoxy-2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-1H-indole;2-propan-2-yl-1,5-naphthyridine;1-(3-propan-2-ylphenyl)ethanol;2-(3-propan-2-ylphenyl)propan-2-ol;6-propan-2-ylpyridine-2-carbonitrile;4-propan-2-ylpyrimidine;6-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 162140532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).