3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline

C46H48N8O2 — CID 157235223

IUPAC3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline
SMILESCC.Cc1ccc2ccccc2n1.Cc1cnc2c(c1)ncn2C.Cc1cnc2ccoc2c1.Cn1cnc2ccccc21.[C-]#[N+]c1cccc(C(C)=O)c1C
InChIInChI=1S/C10H9NO.C10H9N.C8H9N3.C8H8N2.C8H7NO.C2H6/c1-7-9(8(2)12)5-4-6-10(7)11-3;1-8-6-7-9-4-2-3-5-10(9)11-8;1-6-3-7-8(9-4-6)11(2)5-10-7;1-10-6-9-7-4-2-3-5-8(7)10;1-6-4-8-7(9-5-6)2-3-10-8;1-2/h4-6H,1-2H3;2-7H,1H3;3-5H,1-2H3;2-6H,1H3;2-5H,1H3;1-2H3
InChIKeyAUODADLABPEYGC-UHFFFAOYSA-N
MW744.94 g/mol
LogP11.30
Rot. Bonds1

About 3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline

3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline (PubChem CID 157235223) has the molecular formula C46H48N8O2 and a molecular weight of 744.94 g/mol. Its IUPAC name is 3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline.

Molecular Properties

Compound Name3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline
PubChem CID157235223
Molecular FormulaC46H48N8O2
Molecular Weight744.94 g/mol
Exact Mass744.39
IUPAC Name3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline
SMILESCC.Cc1ccc2ccccc2n1.Cc1cnc2c(c1)ncn2C.Cc1cnc2ccoc2c1.Cn1cnc2ccccc21.[C-]#[N+]c1cccc(C(C)=O)c1C
InChIInChI=1S/C10H9NO.C10H9N.C8H9N3.C8H8N2.C8H7NO.C2H6/c1-7-9(8(2)12)5-4-6-10(7)11-3;1-8-6-7-9-4-2-3-5-10(9)11-8;1-6-3-7-8(9-4-6)11(2)5-10-7;1-10-6-9-7-4-2-3-5-8(7)10;1-6-4-8-7(9-5-6)2-3-10-8;1-2/h4-6H,1-2H3;2-7H,1H3;3-5H,1-2H3;2-6H,1H3;2-5H,1H3;1-2H3
InChIKeyAUODADLABPEYGC-UHFFFAOYSA-N
XLogP11.30
TPSA108.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.94
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline with MolForge

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Related Compounds

3-Benzyl-2-(furan-2-yl)imidazo[2,1-a]isoquinoline
CID 51359022
2-(Furan-2-yl)-3-[(2-methoxyphenyl)methyl]imidazo[2,1-a]isoquinoline
CID 53299389
N-methyl-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine
CID 146025705
N-ethyl-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine
CID 146025706
N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]-N-propan-2-ylfuro[3,2-c]pyridin-4-amine
CID 146025707
7-[[5-[4-amino-5-(1,3-oxazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-methylquinolin-2-amine
CID 156304118
N-cyclopentyl-N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine
CID 146025709
4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647468
4-[5-furo[3,2-b]pyridin-6-yl-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647585
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
CID 118346664
1-[8-[(2,6-Difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-2-quinolin-5-ylethanone
CID 146750132
4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-2-furo[3,2-b]pyridin-6-yloxy-N-methyl-9H-pyrimido[4,5-b]indol-8-amine
CID 147362279

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline?
The IUPAC name of 3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline (CID 157235223) is 3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline.
What is the SMILES notation for 3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline?
The canonical SMILES for 3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline is CC.Cc1ccc2ccccc2n1.Cc1cnc2c(c1)ncn2C.Cc1cnc2ccoc2c1.Cn1cnc2ccccc21.[C-]#[N+]c1cccc(C(C)=O)c1C.
What is the InChIKey of 3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline?
The InChIKey is AUODADLABPEYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C10H9N.C8H9N3.C8H8N2.C8H7NO.C2H6/c1-7-9(8(2)12)5-4-6-10(7)11-3;1-8-6-7-9-4-2-3-5-10(9)11-8;1-6-3-7-8(9-4-6)11(2)5-10-7;1-10-6-9-7-4-2-3-5-8(7)10;1-6-4-8-7(9-5-6)2-3-10-8;1-2/h4-6H,1-2H3;2-7H,1H3;3-5H,1-2H3;2-6H,1H3;2-5H,1H3;1-2H3.
What are the key properties of 3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline?
3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline has a molecular weight of 744.94 g/mol, XLogP of 11.30, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylimidazo[4,5-b]pyridine;ethane;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;2-methylquinoline is sourced from PubChem (CID 157235223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).