2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine

C23H28N2O — CID 137454469

IUPAC2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(C3[C@@H](C)N4CCC3(C)CC4C)c(C)ccc12
InChIInChI=1S/C23H28N2O/c1-13-6-8-17-18-9-7-14(2)24-22(18)26-21(17)19(13)20-16(4)25-11-10-23(20,5)12-15(25)3/h6-9,15-16,20H,10-12H2,1-5H3/t15?,16-,20?,23?/m1/s1
InChIKeyBJQCUBAYOUCDJT-WIYZGILFSA-N
MW348.49 g/mol
LogP5.57
Rot. Bonds1

About 2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine

2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 137454469) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID137454469
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(C3[C@@H](C)N4CCC3(C)CC4C)c(C)ccc12
InChIInChI=1S/C23H28N2O/c1-13-6-8-17-18-9-7-14(2)24-22(18)26-21(17)19(13)20-16(4)25-11-10-23(20,5)12-15(25)3/h6-9,15-16,20H,10-12H2,1-5H3/t15?,16-,20?,23?/m1/s1
InChIKeyBJQCUBAYOUCDJT-WIYZGILFSA-N
XLogP5.57
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-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
8-[(3S)-3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 137454841
2,7-dimethyl-8-(2-methyl-1-azabicyclo[2.2.1]heptan-3-yl)-[1]benzofuro[2,3-b]pyridine
CID 162295338
2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 162296034
2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 137448457
2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 137454842
CID 140884066
CID 140884066
8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 162296453
7-methyl-8-[(2R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine
CID 137454819
8-(5,5-dideuterio-1,2-dimethyl-2,4-dihydro-1,3-benzodiazepin-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 162296388
2,7-dimethyl-8-[(2S)-2-methyl-1-propan-2-yl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl]-[1]benzofuro[2,3-b]pyridine
CID 152967807
2,7-dimethyl-8-[(11S)-11-methyl-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-trien-10-yl]-[1]benzofuro[2,3-b]pyridine
CID 137454333

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 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) is 2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(C3[C@@H](C)N4CCC3(C)CC4C)c(C)ccc12.
What is the InChIKey of 2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is BJQCUBAYOUCDJT-WIYZGILFSA-N. The full InChI is InChI=1S/C23H28N2O/c1-13-6-8-17-18-9-7-14(2)24-22(18)26-21(17)19(13)20-16(4)25-11-10-23(20,5)12-15(25)3/h6-9,15-16,20H,10-12H2,1-5H3/t15?,16-,20?,23?/m1/s1.
What are the key properties of 2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine?
2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 348.49 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-8-[(2R)-2,4,6-trimethyl-1-azabicyclo[2.2.2]octan-3-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 137454469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).