2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine

C20H22N2O — CID 137454842

IUPAC2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3C4CCC(C4)[C@@H]3C)c(C)ccc12
InChIInChI=1S/C20H22N2O/c1-11-4-8-16-17-9-5-12(2)21-20(17)23-19(16)18(11)22-13(3)14-6-7-15(22)10-14/h4-5,8-9,13-15H,6-7,10H2,1-3H3/t13-,14?,15?/m0/s1
InChIKeySNQVQIIHTLRZIF-NFOMZHRRSA-N
MW306.41 g/mol
LogP4.98
Rot. Bonds1

About 2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine

2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 137454842) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID137454842
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3C4CCC(C4)[C@@H]3C)c(C)ccc12
InChIInChI=1S/C20H22N2O/c1-11-4-8-16-17-9-5-12(2)21-20(17)23-19(16)18(11)22-13(3)14-6-7-15(22)10-14/h4-5,8-9,13-15H,6-7,10H2,1-3H3/t13-,14?,15?/m0/s1
InChIKeySNQVQIIHTLRZIF-NFOMZHRRSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

8-[(3S)-3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 137454841
3-methyl-2-(3-methyldibenzofuran-4-yl)-2-azabicyclo[2.2.2]octane
CID 162296036
8-[(2S)-3-cyclopentyl-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 118083710
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
2,7-dimethyl-8-(11-methyl-1,10-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-10-yl)-[1]benzofuro[2,3-b]pyridine
CID 162296382
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
8-(1,3-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(3,4-dimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(10,11-dimethyl-9,11-diazatricyclo[6.3.2.02,7]trideca-2,4,6-trien-9-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(3-methyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5-tetramethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 162296094
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
2,7-dimethyl-8-(2-methyl-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl)-[1]benzofuro[2,3-b]pyridine
CID 148769561
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

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 137454842) is 2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(N3C4CCC(C4)[C@@H]3C)c(C)ccc12.
What is the InChIKey of 2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is SNQVQIIHTLRZIF-NFOMZHRRSA-N. The full InChI is InChI=1S/C20H22N2O/c1-11-4-8-16-17-9-5-12(2)21-20(17)23-19(16)18(11)22-13(3)14-6-7-15(22)10-14/h4-5,8-9,13-15H,6-7,10H2,1-3H3/t13-,14?,15?/m0/s1.
What are the key properties of 2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine?
2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 306.41 g/mol, XLogP of 4.98, 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-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 137454842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).