5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

C163H209N38O2S2+ — CID 158015129

IUPAC5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1cnc2[nH]ccc2c1.CC(C)c1ccn2ccnc2c1.CC(C)c1ccn2ncnc2c1.CC(C)c1ccnc2c1CCCN2C.CC(C)c1ccnc2c1OCCN2C.CC(C)c1ccnc2c1cnn2C.CC(C)c1ccnc2c1ncn2C.CC(C)c1ccnc2ccnn12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2ncn(C)c12.CC(C)c1ccnc2ocnc12.CC(C)c1cncc2nccn12.CC(C)c1ncnc2c1CC=[N+]2C.Cc1cnn2c(C(C)C)ccnc12.Cc1csc2c(C(C)C)ccnc12.Cn1ccc2cc(C(C)(C)C)cnc21
InChIInChI=1S/C12H16N2.C12H18N2.C11H16N2O.C11H14N2.C11H13NS.C10H14N3.4C10H13N3.C10H12N2.C10H11NS.3C9H11N3.C9H10N2O/c1-12(2,3)10-7-9-5-6-14(4)11(9)13-8-10;1-9(2)10-6-7-13-12-11(10)5-4-8-14(12)3;1-8(2)9-4-5-12-11-10(9)14-7-6-13(11)3;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-7(2)9-4-5-12-10-8(3)6-13-11(9)10;1-7(2)9-8-4-5-13(3)10(8)12-6-11-9;1-7(2)8-4-5-11-10-9(8)13(3)6-12-10;1-7(2)8-4-5-11-10-9(8)12-6-13(10)3;1-7(2)8-4-5-11-10-9(8)6-12-13(10)3;1-7(2)9-4-5-11-10-8(3)6-12-13(9)10;1-8(2)9-3-5-12-6-4-11-10(12)7-9;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-10-9-4-6-11-12(8)9;1-7(2)8-5-10-6-9-11-3-4-12(8)9;1-7(2)8-3-4-12-9(5-8)10-6-11-12;1-6(2)7-3-4-10-9-8(7)11-5-12-9/h5-8H,1-4H3;6-7,9H,4-5,8H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;5-7H,4H2,1-3H3;4*4-7H,1-3H3;3-8H,1-2H3;4*3-7H,1-2H3;3-6H,1-2H3/q;;;;;+1;;;;;;;;;;
InChIKeyCLNBYERNFMABAI-UHFFFAOYSA-N
MW2796.86 g/mol
LogP37.80
Rot. Bonds14

About 5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158015129) has the molecular formula C163H209N38O2S2+ and a molecular weight of 2796.86 g/mol. Its IUPAC name is 5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID158015129
Molecular FormulaC163H209N38O2S2+
Molecular Weight2796.86 g/mol
Exact Mass2794.69
IUPAC Name5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1cnc2[nH]ccc2c1.CC(C)c1ccn2ccnc2c1.CC(C)c1ccn2ncnc2c1.CC(C)c1ccnc2c1CCCN2C.CC(C)c1ccnc2c1OCCN2C.CC(C)c1ccnc2c1cnn2C.CC(C)c1ccnc2c1ncn2C.CC(C)c1ccnc2ccnn12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2ncn(C)c12.CC(C)c1ccnc2ocnc12.CC(C)c1cncc2nccn12.CC(C)c1ncnc2c1CC=[N+]2C.Cc1cnn2c(C(C)C)ccnc12.Cc1csc2c(C(C)C)ccnc12.Cn1ccc2cc(C(C)(C)C)cnc21
InChIInChI=1S/C12H16N2.C12H18N2.C11H16N2O.C11H14N2.C11H13NS.C10H14N3.4C10H13N3.C10H12N2.C10H11NS.3C9H11N3.C9H10N2O/c1-12(2,3)10-7-9-5-6-14(4)11(9)13-8-10;1-9(2)10-6-7-13-12-11(10)5-4-8-14(12)3;1-8(2)9-4-5-12-11-10(9)14-7-6-13(11)3;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-7(2)9-4-5-12-10-8(3)6-13-11(9)10;1-7(2)9-8-4-5-13(3)10(8)12-6-11-9;1-7(2)8-4-5-11-10-9(8)13(3)6-12-10;1-7(2)8-4-5-11-10-9(8)12-6-13(10)3;1-7(2)8-4-5-11-10-9(8)6-12-13(10)3;1-7(2)9-4-5-11-10-8(3)6-12-13(9)10;1-8(2)9-3-5-12-6-4-11-10(12)7-9;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-10-9-4-6-11-12(8)9;1-7(2)8-5-10-6-9-11-3-4-12(8)9;1-7(2)8-3-4-12-9(5-8)10-6-11-12;1-6(2)7-3-4-10-9-8(7)11-5-12-9/h5-8H,1-4H3;6-7,9H,4-5,8H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;5-7H,4H2,1-3H3;4*4-7H,1-3H3;3-8H,1-2H3;4*3-7H,1-2H3;3-6H,1-2H3/q;;;;;+1;;;;;;;;;;
InChIKeyCLNBYERNFMABAI-UHFFFAOYSA-N
XLogP37.80
TPSA411.67 Ų
H-Bond Donors1
H-Bond Acceptors40
Rotatable Bonds14
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002796.86
LogP ≤ 537.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 158576601
7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-tert-butyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-tert-butyl-2-pyrimidin-4-yl-1,3-oxazole;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
CID 160608168
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 161612650
bis(1H-benzimidazole);bis(2H-benzimidazole);tris(1-benzofuran);1,3-benzothiazole;1-benzothiophene;bis(1,3-benzoxazole);2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrimidin-2-amine;2-ethyl-6-methoxypyridine;N-ethynyl-2-pyridin-4-ylethanamine;bis(furo[2,3-b]pyridine);imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;2H-indene;bis(1H-indole);2-methylideneindole;2-methyl-1,5-naphthyridine;1,5-naphthyridine;2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine
CID 162093117
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,7-naphthyridine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;6-tert-butylquinoline;5-tert-butyl-4H-triazole;2-(2,2-dimethylpropyl)pyridine;1-propan-2-ylpyrrolidine;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 165077137
4-(4-Methyl-3-pyridinyl)-3-phenyl-3,5,8,9-tetrazatricyclo[6.4.0.02,6]dodeca-1,4,6,9,11-pentaene;11-methyl-1,4,5,15-tetraza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13(18),14,16-octaene;11-oxa-4,5,15-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2,5,7,9,13(18),14,16-octaene;11-thia-4,8,15-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene;11-(trideuteriomethyl)-1,4,5,15-tetraza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13(18),14,16-octaene
CID 157068453
8-amino-N-ethyl-N-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3-methylpiperidin-1-yl)methanone;[8-amino-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-thiomorpholin-4-ylmethanone;8-amino-N-methyl-2-(5-methylfuran-2-yl)-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;[4-amino-2-(5-methylthiophen-2-yl)pyrazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone;[8-amino-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 157068617
1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[3,4-b]pyrazine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
CID 157069338
N-[6-[[6-(1H-imidazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 157072889
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-methyl-1H-pyrazole;2-methylpyrazolo[1,5-a]pyridine
CID 157085631
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
bis(5H-cyclopenta[c]pyridazine);icosakis(2,2-dimethylpropane);furo[2,3-c]pyridazine;bis(furo[3,2-c]pyridazine);bis([1,3]oxazolo[4,5-c]pyridazine);bis([1,3]oxazolo[5,4-c]pyridazine);bis(5H-pyrrolo[2,3-c]pyridazine);bis(7H-pyrrolo[2,3-c]pyridazine);bis([1,3]thiazolo[4,5-c]pyridazine);bis([1,3]thiazolo[5,4-c]pyridazine);thieno[2,3-c]pyridazine;bis(thieno[3,2-c]pyridazine)
CID 157118018

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 158015129) is 5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)c1cnc2[nH]ccc2c1.CC(C)c1ccn2ccnc2c1.CC(C)c1ccn2ncnc2c1.CC(C)c1ccnc2c1CCCN2C.CC(C)c1ccnc2c1OCCN2C.CC(C)c1ccnc2c1cnn2C.CC(C)c1ccnc2c1ncn2C.CC(C)c1ccnc2ccnn12.CC(C)c1ccnc2ccsc12.CC(C)c1ccnc2ncn(C)c12.CC(C)c1ccnc2ocnc12.CC(C)c1cncc2nccn12.CC(C)c1ncnc2c1CC=[N+]2C.Cc1cnn2c(C(C)C)ccnc12.Cc1csc2c(C(C)C)ccnc12.Cn1ccc2cc(C(C)(C)C)cnc21.
What is the InChIKey of 5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CLNBYERNFMABAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C12H18N2.C11H16N2O.C11H14N2.C11H13NS.C10H14N3.4C10H13N3.C10H12N2.C10H11NS.3C9H11N3.C9H10N2O/c1-12(2,3)10-7-9-5-6-14(4)11(9)13-8-10;1-9(2)10-6-7-13-12-11(10)5-4-8-14(12)3;1-8(2)9-4-5-12-11-10(9)14-7-6-13(11)3;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-7(2)9-4-5-12-10-8(3)6-13-11(9)10;1-7(2)9-8-4-5-13(3)10(8)12-6-11-9;1-7(2)8-4-5-11-10-9(8)13(3)6-12-10;1-7(2)8-4-5-11-10-9(8)12-6-13(10)3;1-7(2)8-4-5-11-10-9(8)6-12-13(10)3;1-7(2)9-4-5-11-10-8(3)6-12-13(9)10;1-8(2)9-3-5-12-6-4-11-10(12)7-9;1-7(2)8-3-5-11-9-4-6-12-10(8)9;1-7(2)8-3-5-10-9-4-6-11-12(8)9;1-7(2)8-5-10-6-9-11-3-4-12(8)9;1-7(2)8-3-4-12-9(5-8)10-6-11-12;1-6(2)7-3-4-10-9-8(7)11-5-12-9/h5-8H,1-4H3;6-7,9H,4-5,8H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3;5-7H,4H2,1-3H3;4*4-7H,1-3H3;3-8H,1-2H3;4*3-7H,1-2H3;3-6H,1-2H3/q;;;;;+1;;;;;;;;;;.
What are the key properties of 5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 2796.86 g/mol, XLogP of 37.80, 14 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158015129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).