2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine

C24H30N2O — CID 162296034

IUPAC2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3C(C)C4(C)CCC3(C)C4(C)C)c(C)ccc12
InChIInChI=1S/C24H30N2O/c1-14-8-10-17-18-11-9-15(2)25-21(18)27-20(17)19(14)26-16(3)23(6)12-13-24(26,7)22(23,4)5/h8-11,16H,12-13H2,1-7H3
InChIKeyODFRZDAFZTVKAX-UHFFFAOYSA-N
MW362.52 g/mol
LogP6.39
Rot. Bonds1

About 2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine

2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 162296034) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID162296034
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(N3C(C)C4(C)CCC3(C)C4(C)C)c(C)ccc12
InChIInChI=1S/C24H30N2O/c1-14-8-10-17-18-11-9-15(2)25-21(18)27-20(17)19(14)26-16(3)23(6)12-13-24(26,7)22(23,4)5/h8-11,16H,12-13H2,1-7H3
InChIKeyODFRZDAFZTVKAX-UHFFFAOYSA-N
XLogP6.39
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine with MolForge

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Launch Full Analysis

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
CID 140884066
CID 140884066
8-(2,4-dimethyl-1,3-diazabicyclo[2.2.1]heptan-3-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(10-methyl-9-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,5,6-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine;2,7-dimethyl-8-(3,7,7-trimethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 162296029
2,7-dimethyl-8-(1,1,3,3-tetramethyl-2-azaspiro[4.5]decan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 137448457
1,3,4,7,7-pentamethyl-2-(2,4,6-trimethyl-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 162296028
2,7-dimethyl-8-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 137454842
8-[(2S)-3-cyclopentyl-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 118083710
8-(2,3-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-1-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 162296453
3,3-dideuterio-2,2,4,5-tetramethyl-1-(3-methyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyrrolidine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[3,3-dideuterio-2,2,4,5-tetramethyl-4-(trideuteriomethyl)pyrrolidin-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4,4-dideuterio-1,3,3-trimethyl-2-azaspiro[4.5]decan-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4,4-dideuterio-1,3,3-trimethyl-2-(3-methyldibenzofuran-4-yl)-2-azaspiro[4.5]decane
CID 162301976
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
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-3-propan-2-yl-2H-imidazo[4,5-b]pyrazin-1-yl)-[1]benzofuro[2,3-b]pyridine
CID 148769561

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 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) is 2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(N3C(C)C4(C)CCC3(C)C4(C)C)c(C)ccc12.
What is the InChIKey of 2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is ODFRZDAFZTVKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-14-8-10-17-18-11-9-15(2)25-21(18)27-20(17)19(14)26-16(3)23(6)12-13-24(26,7)22(23,4)5/h8-11,16H,12-13H2,1-7H3.
What are the key properties of 2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine?
2,7-dimethyl-8-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 362.52 g/mol, XLogP of 6.39, 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-(1,3,4,7,7-pentamethyl-2-azabicyclo[2.2.1]heptan-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 162296034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).