7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine

C20H22N2O — CID 137454819

IUPAC7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3ncccc32)c1C1C2CCN(CC2)[C@@H]1C
InChIInChI=1S/C20H22N2O/c1-12-5-6-15-16-4-3-9-21-20(16)23-19(15)17(12)18-13(2)22-10-7-14(18)8-11-22/h3-6,9,13-14,18H,7-8,10-11H2,1-2H3/t13-,18?/m1/s1
InChIKeyAKGMTSMPNNAJQG-YJJYDOSJSA-N
MW306.41 g/mol
LogP4.49
Rot. Bonds1

About 7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine

7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 137454819) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID137454819
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3ncccc32)c1C1C2CCN(CC2)[C@@H]1C
InChIInChI=1S/C20H22N2O/c1-12-5-6-15-16-4-3-9-21-20(16)23-19(15)17(12)18-13(2)22-10-7-14(18)8-11-22/h3-6,9,13-14,18H,7-8,10-11H2,1-2H3/t13-,18?/m1/s1
InChIKeyAKGMTSMPNNAJQG-YJJYDOSJSA-N
XLogP4.49
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 137454823
2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine
CID 162295338
2-methyl-3-(3-methyldibenzofuran-4-yl)-1-azabicyclo[2.2.1]heptane
CID 162295355
8-[3-(2-deuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153418150
8-(3-tert-butyl-2-methyl-2H-benzimidazol-1-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 162296936
8-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 118083708
7-methyl-8-[(2R)-2-methyl-3-[[(2S)-2-methyl-3-(7-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-2H-benzimidazol-1-yl]methyl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 122492430
7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 118083721
7-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine
CID 153286236
7-methyl-8-[(2R)-2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 140884140
7-methyl-8-[(2S)-2-methyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 118074735
7-methyl-8-[(2S)-2-methyl-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 118074684

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine (CID 137454819) is 7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3ncccc32)c1C1C2CCN(CC2)[C@@H]1C.
What is the InChIKey of 7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is AKGMTSMPNNAJQG-YJJYDOSJSA-N. The full InChI is InChI=1S/C20H22N2O/c1-12-5-6-15-16-4-3-9-21-20(16)23-19(15)17(12)18-13(2)22-10-7-14(18)8-11-22/h3-6,9,13-14,18H,7-8,10-11H2,1-2H3/t13-,18?/m1/s1.
What are the key properties of 7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine?
7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 306.41 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 137454819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).