5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium

C170H215N32O6+ — CID 158512300

IUPAC5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
SMILESCC(C)(C)C1N=c2cccc[n+]2=N1.CC(C)(C)N1C=CC2=COCC2=C1.CC(C)(C)c1cc2c(cn1)=CCN=2.CC(C)(C)c1cc2c(cn1)=NCC=2.CC(C)(C)c1ccc2c(n1)=NCC=2.CC(C)(C)c1ccnc2c1=CCN=2.CC(C)(C)c1ccnc2c1=NCC=2.CC(C)(C)c1cnc2c(c1)=CCN=2.CC(C)(C)c1cnc2c(c1)=NCC=2.CC(C)(C)c1cncc2c1=NCC=2.CC(C)(C)c1cncc2nocc12.CC(C)(C)c1nccc2c1=NCC=2.CC(C)(C)c1nccc2nocc12.CC(C)(C)c1onc2ccncc12.CC(C)(C)c1onc2cnccc12.CC(C)(C)c1onc2ncccc12
InChIInChI=1S/9C11H14N2.C11H15NO.C10H14N3.5C10H12N2O/c1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)10-9-8(4-6-12-9)5-7-13-10;1-11(2,3)8-6-10-9(13-7-8)4-5-12-10;1-11(2,3)10-6-9-8(7-13-10)4-5-12-9;1-11(2,3)9-7-12-6-8-4-5-13-10(8)9;1-11(2,3)10-6-8-4-5-12-9(8)7-13-10;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-11(2,3)9-5-4-8-6-7-12-10(8)13-9;1-11(2,3)12-5-4-9-7-13-8-10(9)6-12;1-10(2,3)9-11-8-6-4-5-7-13(8)12-9;1-10(2,3)8-4-11-5-9-7(8)6-13-12-9;1-10(2,3)9-7-6-13-12-8(7)4-5-11-9;1-10(2,3)9-7-6-11-5-4-8(7)12-13-9;1-10(2,3)9-7-4-5-11-6-8(7)12-13-9;1-10(2,3)8-7-5-4-6-11-9(7)12-13-8/h4-6H,7H2,1-3H3;2*4-5,7H,6H2,1-3H3;5*4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;4-7H,8H2,1-3H3;4-7,9H,1-3H3;5*4-6H,1-3H3/q;;;;;;;;;;+1;;;;;
InChIKeySJQDPFRFJAZMKV-UHFFFAOYSA-N
MW2802.81 g/mol
LogP23.16
Rot. Bonds

About 5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium

5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium (PubChem CID 158512300) has the molecular formula C170H215N32O6+ and a molecular weight of 2802.81 g/mol. Its IUPAC name is 5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium.

Molecular Properties

Compound Name5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
PubChem CID158512300
Molecular FormulaC170H215N32O6+
Molecular Weight2802.81 g/mol
Exact Mass2800.75
IUPAC Name5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
SMILESCC(C)(C)C1N=c2cccc[n+]2=N1.CC(C)(C)N1C=CC2=COCC2=C1.CC(C)(C)c1cc2c(cn1)=CCN=2.CC(C)(C)c1cc2c(cn1)=NCC=2.CC(C)(C)c1ccc2c(n1)=NCC=2.CC(C)(C)c1ccnc2c1=CCN=2.CC(C)(C)c1ccnc2c1=NCC=2.CC(C)(C)c1cnc2c(c1)=CCN=2.CC(C)(C)c1cnc2c(c1)=NCC=2.CC(C)(C)c1cncc2c1=NCC=2.CC(C)(C)c1cncc2nocc12.CC(C)(C)c1nccc2c1=NCC=2.CC(C)(C)c1nccc2nocc12.CC(C)(C)c1onc2ccncc12.CC(C)(C)c1onc2cnccc12.CC(C)(C)c1onc2ncccc12
InChIInChI=1S/9C11H14N2.C11H15NO.C10H14N3.5C10H12N2O/c1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)10-9-8(4-6-12-9)5-7-13-10;1-11(2,3)8-6-10-9(13-7-8)4-5-12-10;1-11(2,3)10-6-9-8(7-13-10)4-5-12-9;1-11(2,3)9-7-12-6-8-4-5-13-10(8)9;1-11(2,3)10-6-8-4-5-12-9(8)7-13-10;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-11(2,3)9-5-4-8-6-7-12-10(8)13-9;1-11(2,3)12-5-4-9-7-13-8-10(9)6-12;1-10(2,3)9-11-8-6-4-5-7-13(8)12-9;1-10(2,3)8-4-11-5-9-7(8)6-13-12-9;1-10(2,3)9-7-6-13-12-8(7)4-5-11-9;1-10(2,3)9-7-6-11-5-4-8(7)12-13-9;1-10(2,3)9-7-4-5-11-6-8(7)12-13-9;1-10(2,3)8-7-5-4-6-11-9(7)12-13-8/h4-6H,7H2,1-3H3;2*4-5,7H,6H2,1-3H3;5*4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;4-7H,8H2,1-3H3;4-7,9H,1-3H3;5*4-6H,1-3H3/q;;;;;;;;;;+1;;;;;
InChIKeySJQDPFRFJAZMKV-UHFFFAOYSA-N
XLogP23.16
TPSA464.94 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002802.81
LogP ≤ 523.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium with MolForge

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Related Compounds

4-[1-[(4-Fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(4-fluorophenyl)methyl]pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole;1,2-oxazole
CID 157108262
2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide);bis(2-[4-(6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide);N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-4-ylpyrazol-1-yl)acetamide
CID 157318676
4-amino-3-[7-(2-methoxypyrimidin-5-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]pent-3-en-2-one;3,5-dimethyl-4-[7-(1-methylpyrazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methyl-3-pyridinyl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-3-yl]-1,2-oxazole;5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carbonitrile
CID 158317002
1-Benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-4-amine;3,5-dimethyl-4-[2-methyl-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-1,2-oxazole
CID 158643062
4-(1-Benzyl-2-ethoxyimidazo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole;4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 158935490
4-tert-butyl-7H-cyclopenta[c]pyridine;7-tert-butyl-1,3-dihydrofuro[3,4-c]pyridine;8-tert-butylimidazo[1,2-c]pyrimidine;3-tert-butyl-[1,2]oxazolo[4,3-b]pyridine;7-tert-butylpyrazolo[1,5-a]pyrazine
CID 159327744
1-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[phenyl(pyridin-2-yl)methyl]pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propan-2-one;4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]benzoic acid;methyl 2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[phenyl(pyridin-2-yl)methyl]pyrrolo[2,3-b]pyrazin-7-yl]phenyl]acetate;methyl 4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]benzoate
CID 159508802
4-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2-indol-1-ylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]morpholine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,3-diamine
CID 160285215
5-[1-[Dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]-1-methylpyridin-2-one;5-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine;5-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[3,2-b]pyridin-3-yl]pyrimidin-2-amine;4-[1-[dideuterio-(4-fluoro-4-methylcyclohexyl)methyl]-3-(2-methoxypyrimidin-5-yl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 161281116
1-[1-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]phenyl]cyclopropyl]ethanone;1-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]phenyl]propan-2-one;methyl 2-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]phenyl]acetate;methyl 1-[4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyrazin-7-yl]phenyl]cyclopropane-1-carboxylate
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CID 164101808
3-Tert-butylpyrrolo[1,2-c]pyrimidine;6-propan-2-ylfuro[3,2-c]pyridine;6-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-c]pyrimidine;3-propan-2-ylpyrrolo[1,2-a]pyrazine
CID 164961694

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?
The IUPAC name of 5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium (CID 158512300) is 5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium.
What is the SMILES notation for 5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?
The canonical SMILES for 5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium is CC(C)(C)C1N=c2cccc[n+]2=N1.CC(C)(C)N1C=CC2=COCC2=C1.CC(C)(C)c1cc2c(cn1)=CCN=2.CC(C)(C)c1cc2c(cn1)=NCC=2.CC(C)(C)c1ccc2c(n1)=NCC=2.CC(C)(C)c1ccnc2c1=CCN=2.CC(C)(C)c1ccnc2c1=NCC=2.CC(C)(C)c1cnc2c(c1)=CCN=2.CC(C)(C)c1cnc2c(c1)=NCC=2.CC(C)(C)c1cncc2c1=NCC=2.CC(C)(C)c1cncc2nocc12.CC(C)(C)c1nccc2c1=NCC=2.CC(C)(C)c1nccc2nocc12.CC(C)(C)c1onc2ccncc12.CC(C)(C)c1onc2cnccc12.CC(C)(C)c1onc2ncccc12.
What is the InChIKey of 5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?
The InChIKey is SJQDPFRFJAZMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/9C11H14N2.C11H15NO.C10H14N3.5C10H12N2O/c1-11(2,3)8-4-6-12-9-5-7-13-10(8)9;1-11(2,3)9-5-7-13-10-8(9)4-6-12-10;1-11(2,3)10-9-8(4-6-12-9)5-7-13-10;1-11(2,3)8-6-10-9(13-7-8)4-5-12-10;1-11(2,3)10-6-9-8(7-13-10)4-5-12-9;1-11(2,3)9-7-12-6-8-4-5-13-10(8)9;1-11(2,3)10-6-8-4-5-12-9(8)7-13-10;1-11(2,3)9-6-8-4-5-12-10(8)13-7-9;1-11(2,3)9-5-4-8-6-7-12-10(8)13-9;1-11(2,3)12-5-4-9-7-13-8-10(9)6-12;1-10(2,3)9-11-8-6-4-5-7-13(8)12-9;1-10(2,3)8-4-11-5-9-7(8)6-13-12-9;1-10(2,3)9-7-6-13-12-8(7)4-5-11-9;1-10(2,3)9-7-6-11-5-4-8(7)12-13-9;1-10(2,3)9-7-4-5-11-6-8(7)12-13-9;1-10(2,3)8-7-5-4-6-11-9(7)12-13-8/h4-6H,7H2,1-3H3;2*4-5,7H,6H2,1-3H3;5*4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;4-7H,8H2,1-3H3;4-7,9H,1-3H3;5*4-6H,1-3H3/q;;;;;;;;;;+1;;;;;.
What are the key properties of 5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?
5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium has a molecular weight of 2802.81 g/mol, XLogP of 23.16, 0 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3H-furo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-b]pyridine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;4-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;4-tert-butyl-2H-pyrrolo[2,3-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[2,3-b]pyridine;6-tert-butyl-2H-pyrrolo[3,2-b]pyridine;7-tert-butyl-2H-pyrrolo[3,2-b]pyridine;5-tert-butyl-2H-pyrrolo[2,3-c]pyridine;6-tert-butyl-2H-pyrrolo[3,2-c]pyridine;7-tert-butyl-2H-pyrrolo[2,3-c]pyridine;7-tert-butyl-2H-pyrrolo[3,2-c]pyridine;2-tert-butyl-2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium is sourced from PubChem (CID 158512300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).