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

C114H131N11O5 — CID 162296029

IUPAC8-(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
SMILESCc1ccc2c(n1)oc1c(N3C(C)C4(C)CC3(C)C(C)C4C)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)C4(C)CCC3(C)C4(C)C)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)C4CCC3C4(C)C)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)N4CCC3(C)C4)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C4CC(c5ccccc54)C3C)c(C)ccc12
InChIInChI=1S/C24H22N2O.2C24H30N2O.C22H26N2O.C20H23N3O/c1-13-8-10-18-19-11-9-14(2)25-24(19)27-23(18)22(13)26-15(3)20-12-21(26)17-7-5-4-6-16(17)20;1-14-8-10-17-18-11-9-15(2)25-21(18)27-20(17)19(14)26-16(3)23(6)12-13-24(26,7)22(23,4)5;1-13-8-10-18-19-11-9-14(2)25-22(19)27-21(18)20(13)26-17(5)23(6)12-24(26,7)16(4)15(23)3;1-12-6-8-15-16-9-7-13(2)23-21(16)25-20(15)19(12)24-14(3)17-10-11-18(24)22(17,4)5;1-12-5-7-15-16-8-6-13(2)21-19(16)24-18(15)17(12)23-14(3)22-10-9-20(23,4)11-22/h4-11,15,20-21H,12H2,1-3H3;8-11,16H,12-13H2,1-7H3;8-11,15-17H,12H2,1-7H3;6-9,14,17-18H,10-11H2,1-5H3;5-8,14H,9-11H2,1-4H3
InChIKeyOVPKSCMEUCOTRH-UHFFFAOYSA-N
MW1735.37 g/mol
LogP28.51
Rot. Bonds5

About 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

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 (PubChem CID 162296029) has the molecular formula C114H131N11O5 and a molecular weight of 1735.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID162296029
Molecular FormulaC114H131N11O5
Molecular Weight1735.37 g/mol
Exact Mass1734.03
IUPAC Name8-(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
SMILESCc1ccc2c(n1)oc1c(N3C(C)C4(C)CC3(C)C(C)C4C)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)C4(C)CCC3(C)C4(C)C)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)C4CCC3C4(C)C)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)N4CCC3(C)C4)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C4CC(c5ccccc54)C3C)c(C)ccc12
InChIInChI=1S/C24H22N2O.2C24H30N2O.C22H26N2O.C20H23N3O/c1-13-8-10-18-19-11-9-14(2)25-24(19)27-23(18)22(13)26-15(3)20-12-21(26)17-7-5-4-6-16(17)20;1-14-8-10-17-18-11-9-15(2)25-21(18)27-20(17)19(14)26-16(3)23(6)12-13-24(26,7)22(23,4)5;1-13-8-10-18-19-11-9-14(2)25-22(19)27-21(18)20(13)26-17(5)23(6)12-24(26,7)16(4)15(23)3;1-12-6-8-15-16-9-7-13(2)23-21(16)25-20(15)19(12)24-14(3)17-10-11-18(24)22(17,4)5;1-12-5-7-15-16-8-6-13(2)21-19(16)24-18(15)17(12)23-14(3)22-10-9-20(23,4)11-22/h4-11,15,20-21H,12H2,1-3H3;8-11,16H,12-13H2,1-7H3;8-11,15-17H,12H2,1-7H3;6-9,14,17-18H,10-11H2,1-5H3;5-8,14H,9-11H2,1-4H3
InChIKeyOVPKSCMEUCOTRH-UHFFFAOYSA-N
XLogP28.51
TPSA149.59 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001735.37
LogP ≤ 528.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(n1)oc1c(N3C(C)C4(C)CC3(C)C(C)C4C)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)C4(C)CCC3(C)C4(C)C)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)C4CCC3C4(C)C)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C(C)N4CCC3(C)C4)c(C)ccc12.Cc1ccc2c(n1)oc1c(N3C4CC(c5ccccc54)C3C)c(C)ccc12.
What is the InChIKey of 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?
The InChIKey is OVPKSCMEUCOTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O.2C24H30N2O.C22H26N2O.C20H23N3O/c1-13-8-10-18-19-11-9-14(2)25-24(19)27-23(18)22(13)26-15(3)20-12-21(26)17-7-5-4-6-16(17)20;1-14-8-10-17-18-11-9-15(2)25-21(18)27-20(17)19(14)26-16(3)23(6)12-13-24(26,7)22(23,4)5;1-13-8-10-18-19-11-9-14(2)25-22(19)27-21(18)20(13)26-17(5)23(6)12-24(26,7)16(4)15(23)3;1-12-6-8-15-16-9-7-13(2)23-21(16)25-20(15)19(12)24-14(3)17-10-11-18(24)22(17,4)5;1-12-5-7-15-16-8-6-13(2)21-19(16)24-18(15)17(12)23-14(3)22-10-9-20(23,4)11-22/h4-11,15,20-21H,12H2,1-3H3;8-11,16H,12-13H2,1-7H3;8-11,15-17H,12H2,1-7H3;6-9,14,17-18H,10-11H2,1-5H3;5-8,14H,9-11H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1735.37 g/mol, XLogP of 28.51, 5 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162296029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).