2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine

C225H326N33O3+ — CID 158277557

IUPAC2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2ncccc2o1.CC(C)(C)c1ccn2ccccc12.CC(C)(C)c1ccn2cccnc12.CC(C)(C)c1nccc2occc12.CC(C)(C)c1nccn2cccc12.CC(C)C.CC(C)c1cnc2ccoc2c1.CC1=NC2C=CC=C[N+]2=C1C(C)(C)C.Cc1ccc2c(C)nn(C)c2n1.Cc1ccn2cnc(C(C)(C)C)c2c1.Cc1cnn2ccccc12.Cc1nc(C(C)(C)C)c2ccccn12.Cc1ncc2ccccn12.Cn1cc2cccc(C(C)(C)C)c2n1.Cn1ccc2cccc(C(C)(C)C)c21.Cn1nc(C(C)(C)C)c2cccnc21.Cn1ncc2cccc(C(C)(C)C)c21.c1ccn2ccnc2c1.c1ccn2ccnc2c1
InChIInChI=1S/C13H17N.4C12H16N2.C12H17N2.C12H15N.C11H15N3.2C11H14N2.2C11H13NO.C10H11NO.C9H11N3.2C8H8N2.2C7H6N2.4C5H12.C4H10.6C2H6/c1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-9-5-6-14-8-13-11(10(14)7-9)12(2,3)4;1-12(2,3)10-7-5-6-9-8-14(4)13-11(9)10;1-12(2,3)10-7-5-6-9-8-13-14(4)11(9)10;1-9-13-11(12(2,3)4)10-7-5-6-8-14(9)10;1-9-11(12(2,3)4)14-8-6-5-7-10(14)13-9;1-12(2,3)10-7-9-13-8-5-4-6-11(10)13;1-11(2,3)9-8-6-5-7-12-10(8)14(4)13-9;1-11(2,3)9-5-8-13-7-4-6-12-10(9)13;1-11(2,3)10-9-5-4-7-13(9)8-6-12-10;1-11(2,3)10-8-5-7-13-9(8)4-6-12-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-7(2)8-5-10-9(11-6-8)3-4-12-10;1-6-4-5-8-7(2)11-12(3)9(8)10-6;1-7-9-6-8-4-2-3-5-10(7)8;1-7-6-9-10-5-3-2-4-8(7)10;2*1-2-5-9-6-4-8-7(9)3-1;4*1-5(2,3)4;1-4(2)3;6*1-2/h5-9H,1-4H3;4*5-8H,1-4H3;5-8,10H,1-4H3;4-9H,1-3H3;5-7H,1-4H3;2*4-8H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;2*2-6H,1H3;2*1-6H;4*1-4H3;4H,1-3H3;6*1-2H3/q;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyPSXJCEQCZQQCFO-UHFFFAOYSA-N
MW3541.31 g/mol
LogP61.00
Rot. Bonds1

About 2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine

2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine (PubChem CID 158277557) has the molecular formula C225H326N33O3+ and a molecular weight of 3541.31 g/mol. Its IUPAC name is 2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine
PubChem CID158277557
Molecular FormulaC225H326N33O3+
Molecular Weight3541.31 g/mol
Exact Mass3538.64
IUPAC Name2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2ncccc2o1.CC(C)(C)c1ccn2ccccc12.CC(C)(C)c1ccn2cccnc12.CC(C)(C)c1nccc2occc12.CC(C)(C)c1nccn2cccc12.CC(C)C.CC(C)c1cnc2ccoc2c1.CC1=NC2C=CC=C[N+]2=C1C(C)(C)C.Cc1ccc2c(C)nn(C)c2n1.Cc1ccn2cnc(C(C)(C)C)c2c1.Cc1cnn2ccccc12.Cc1nc(C(C)(C)C)c2ccccn12.Cc1ncc2ccccn12.Cn1cc2cccc(C(C)(C)C)c2n1.Cn1ccc2cccc(C(C)(C)C)c21.Cn1nc(C(C)(C)C)c2cccnc21.Cn1ncc2cccc(C(C)(C)C)c21.c1ccn2ccnc2c1.c1ccn2ccnc2c1
InChIInChI=1S/C13H17N.4C12H16N2.C12H17N2.C12H15N.C11H15N3.2C11H14N2.2C11H13NO.C10H11NO.C9H11N3.2C8H8N2.2C7H6N2.4C5H12.C4H10.6C2H6/c1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-9-5-6-14-8-13-11(10(14)7-9)12(2,3)4;1-12(2,3)10-7-5-6-9-8-14(4)13-11(9)10;1-12(2,3)10-7-5-6-9-8-13-14(4)11(9)10;1-9-13-11(12(2,3)4)10-7-5-6-8-14(9)10;1-9-11(12(2,3)4)14-8-6-5-7-10(14)13-9;1-12(2,3)10-7-9-13-8-5-4-6-11(10)13;1-11(2,3)9-8-6-5-7-12-10(8)14(4)13-9;1-11(2,3)9-5-8-13-7-4-6-12-10(9)13;1-11(2,3)10-9-5-4-7-13(9)8-6-12-10;1-11(2,3)10-8-5-7-13-9(8)4-6-12-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-7(2)8-5-10-9(11-6-8)3-4-12-10;1-6-4-5-8-7(2)11-12(3)9(8)10-6;1-7-9-6-8-4-2-3-5-10(7)8;1-7-6-9-10-5-3-2-4-8(7)10;2*1-2-5-9-6-4-8-7(9)3-1;4*1-5(2,3)4;1-4(2)3;6*1-2/h5-9H,1-4H3;4*5-8H,1-4H3;5-8,10H,1-4H3;4-9H,1-3H3;5-7H,1-4H3;2*4-8H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;2*2-6H,1H3;2*1-6H;4*1-4H3;4H,1-3H3;6*1-2H3/q;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyPSXJCEQCZQQCFO-UHFFFAOYSA-N
XLogP61.00
TPSA338.26 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds1
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003541.31
LogP ≤ 561.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine with MolForge

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Related Compounds

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
1-[4-(4,6-Dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(5-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(3-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 157243843
CID 157404890
CID 157404890
CID 157477470
CID 157477470
CID 158130938
CID 158130938
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
5-tert-butyl-N,N-dimethylpyrazin-2-amine;6-tert-butyl-N,N-dimethylpyridazin-3-amine;6-tert-butyl-N,N-dimethylpyrimidin-4-amine;4-tert-butyl-5-fluoropyrimidine;4-tert-butylfuro[2,3-d]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-6-(methoxymethyl)pyridine;4-tert-butyl-6-(methoxymethyl)pyrimidine;3-tert-butyl-6-methoxypyridazine;7-tert-butyl-1-methylindole;7-tert-butyl-1-methylpyrazolo[4,5-d]pyrimidine;2-tert-butylpyrazine;4-(5-tert-butylpyrazin-2-yl)morpholine;5-tert-butylpyrazolo[1,5-a]pyrimidine;3-tert-butylpyridazine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;4-(4-tert-butylpyrimidin-2-yl)morpholine;3-tert-butyl-1,2,4-thiadiazole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyrazine;3-tert-butyl-6-(trifluoromethyl)pyridazine;2-tert-butyl-N,N,6-trimethylpyrimidine-4-carboxamide
CID 158390649
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 158469132
3-[[3-(1,1-difluoroethyl)-5-(piperidin-1-ylmethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-phenyl-[1,2]oxazolo[4,5-c]pyridine;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-6-methoxy-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]furo[3,2-c]pyridine;3-[[3-[(4-methylpiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-[1,2]oxazolo[4,5-d]pyrimidine;3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-N-[5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-6-amine
CID 158955892
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-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 159904961
N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-[2-(3H-pyrrol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 159908285

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine (CID 158277557) is 2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine is CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1cc2ncccc2o1.CC(C)(C)c1ccn2ccccc12.CC(C)(C)c1ccn2cccnc12.CC(C)(C)c1nccc2occc12.CC(C)(C)c1nccn2cccc12.CC(C)C.CC(C)c1cnc2ccoc2c1.CC1=NC2C=CC=C[N+]2=C1C(C)(C)C.Cc1ccc2c(C)nn(C)c2n1.Cc1ccn2cnc(C(C)(C)C)c2c1.Cc1cnn2ccccc12.Cc1nc(C(C)(C)C)c2ccccn12.Cc1ncc2ccccn12.Cn1cc2cccc(C(C)(C)C)c2n1.Cn1ccc2cccc(C(C)(C)C)c21.Cn1nc(C(C)(C)C)c2cccnc21.Cn1ncc2cccc(C(C)(C)C)c21.c1ccn2ccnc2c1.c1ccn2ccnc2c1.
What is the InChIKey of 2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine?
The InChIKey is PSXJCEQCZQQCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.4C12H16N2.C12H17N2.C12H15N.C11H15N3.2C11H14N2.2C11H13NO.C10H11NO.C9H11N3.2C8H8N2.2C7H6N2.4C5H12.C4H10.6C2H6/c1-13(2,3)11-7-5-6-10-8-9-14(4)12(10)11;1-9-5-6-14-8-13-11(10(14)7-9)12(2,3)4;1-12(2,3)10-7-5-6-9-8-14(4)13-11(9)10;1-12(2,3)10-7-5-6-9-8-13-14(4)11(9)10;1-9-13-11(12(2,3)4)10-7-5-6-8-14(9)10;1-9-11(12(2,3)4)14-8-6-5-7-10(14)13-9;1-12(2,3)10-7-9-13-8-5-4-6-11(10)13;1-11(2,3)9-8-6-5-7-12-10(8)14(4)13-9;1-11(2,3)9-5-8-13-7-4-6-12-10(9)13;1-11(2,3)10-9-5-4-7-13(9)8-6-12-10;1-11(2,3)10-8-5-7-13-9(8)4-6-12-10;1-11(2,3)10-7-8-9(13-10)5-4-6-12-8;1-7(2)8-5-10-9(11-6-8)3-4-12-10;1-6-4-5-8-7(2)11-12(3)9(8)10-6;1-7-9-6-8-4-2-3-5-10(7)8;1-7-6-9-10-5-3-2-4-8(7)10;2*1-2-5-9-6-4-8-7(9)3-1;4*1-5(2,3)4;1-4(2)3;6*1-2/h5-9H,1-4H3;4*5-8H,1-4H3;5-8,10H,1-4H3;4-9H,1-3H3;5-7H,1-4H3;2*4-8H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3;4-5H,1-3H3;2*2-6H,1H3;2*1-6H;4*1-4H3;4H,1-3H3;6*1-2H3/q;;;;;+1;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine?
2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine has a molecular weight of 3541.31 g/mol, XLogP of 61.00, 1 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylfuro[3,2-b]pyridine;4-tert-butylfuro[3,2-c]pyridine;1-tert-butylindolizine;3-tert-butyl-2-methyl-8aH-imidazo[1,2-a]pyridin-4-ium;1-tert-butyl-3-methylimidazo[1,5-a]pyridine;1-tert-butyl-7-methylimidazo[1,5-a]pyridine;7-tert-butyl-1-methylindazole;7-tert-butyl-2-methylindazole;7-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrazolo[5,4-b]pyridine;1-tert-butylpyrrolo[1,2-a]pyrazine;8-tert-butylpyrrolo[1,2-a]pyrimidine;tetrakis(2,2-dimethylpropane);ethane;bis(imidazo[1,2-a]pyridine);3-methylimidazo[1,5-a]pyridine;2-methylpropane;3-methylpyrazolo[1,5-a]pyridine;6-propan-2-ylfuro[3,2-b]pyridine;1,3,6-trimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 158277557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).