8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine

C21H24N2O — CID 137454823

IUPAC8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3ncccc32)c1C1[C@@H](C)N2CCC1(C)CC2
InChIInChI=1S/C21H24N2O/c1-13-6-7-15-16-5-4-10-22-20(16)24-19(15)17(13)18-14(2)23-11-8-21(18,3)9-12-23/h4-7,10,14,18H,8-9,11-12H2,1-3H3/t14-,18?/m1/s1
InChIKeyQTVJFLYOMFAJCC-IKJXHCRLSA-N
MW320.44 g/mol
LogP4.88
Rot. Bonds1

About 8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine

8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 137454823) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
PubChem CID137454823
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3ncccc32)c1C1[C@@H](C)N2CCC1(C)CC2
InChIInChI=1S/C21H24N2O/c1-13-6-7-15-16-5-4-10-22-20(16)24-19(15)17(13)18-14(2)23-11-8-21(18,3)9-12-23/h4-7,10,14,18H,8-9,11-12H2,1-3H3/t14-,18?/m1/s1
InChIKeyQTVJFLYOMFAJCC-IKJXHCRLSA-N
XLogP4.88
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 137454819
2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 137454469
7-methyl-8-[(2S)-2-methyl-3-propan-2-yl-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 118083721
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
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
2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine
CID 162295338
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-tert-butyl-8-methyl-[1]benzofuro[2,3-b]pyridine
CID 153286236
8-[3-(2-deuteriopropan-2-yl)-2H-imidazo[4,5-b]pyrazin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 153418150
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-3-(2-methylpropyl)-2H-imidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 118074684

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine (CID 137454823) is 8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3ncccc32)c1C1[C@@H](C)N2CCC1(C)CC2.
What is the InChIKey of 8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is QTVJFLYOMFAJCC-IKJXHCRLSA-N. The full InChI is InChI=1S/C21H24N2O/c1-13-6-7-15-16-5-4-10-22-20(16)24-19(15)17(13)18-14(2)23-11-8-21(18,3)9-12-23/h4-7,10,14,18H,8-9,11-12H2,1-3H3/t14-,18?/m1/s1.
What are the key properties of 8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine?
8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 320.44 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 137454823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).