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

C24H23N3O — CID 162296382

IUPAC2,7-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
SMILESCc1ccc2c(n1)oc1c(N3C4Cc5ccccc5N(C4)C3C)c(C)ccc12
InChIInChI=1S/C24H23N3O/c1-14-8-10-19-20-11-9-15(2)25-24(20)28-23(19)22(14)27-16(3)26-13-18(27)12-17-6-4-5-7-21(17)26/h4-11,16,18H,12-13H2,1-3H3
InChIKeyJWWBVDZTSAJZKJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.20
Rot. Bonds1

About 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

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 (PubChem CID 162296382) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,7-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
PubChem CID162296382
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name2,7-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
SMILESCc1ccc2c(n1)oc1c(N3C4Cc5ccccc5N(C4)C3C)c(C)ccc12
InChIInChI=1S/C24H23N3O/c1-14-8-10-19-20-11-9-15(2)25-24(20)28-23(19)22(14)27-16(3)26-13-18(27)12-17-6-4-5-7-21(17)26/h4-11,16,18H,12-13H2,1-3H3
InChIKeyJWWBVDZTSAJZKJ-UHFFFAOYSA-N
XLogP5.20
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
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-[(3S)-3-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 137454842
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-[(2S)-2-methyl-1-propan-2-yl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl]-[1]benzofuro[2,3-b]pyridine
CID 152967807
8-[(2S)-3-cyclopentyl-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 118083710
8-[(6S)-6,7-dimethyl-6H-benzo[d][1,3]benzodiazepin-5-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-1,2-dimethyl-4,5-dihydro-2H-1,3-benzodiazepin-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(7S)-7-methyl-1,6-diazabicyclo[3.2.1]octan-6-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(10S)-10-methyl-9,11-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]-[1]benzofuro[2,3-b]pyridine;7-methyl-8-[(11S)-11-methyl-1,10-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-10-yl]-[1]benzofuro[2,3-b]pyridine
CID 158426424
8-[(2R)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazo[4,5-b]pyridin-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 158578666
2,7-dimethyl-8-[(2S)-2-methyl-3-[2-(1-methylbenzimidazol-2-yl)propan-2-yl]-2H-benzimidazol-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 138486753
8-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-[(2S)-3-[2,6-di(propan-2-yl)phenyl]-2-methyl-2H-imidazol-1-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 165060179
8-[(8S)-7-benzyl-8-methyl-5,6,7,8-tetrahydropyrido[2,3-b]azepin-9-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 163830996

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(n1)oc1c(N3C4Cc5ccccc5N(C4)C3C)c(C)ccc12.
What is the InChIKey of 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?
The InChIKey is JWWBVDZTSAJZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-14-8-10-19-20-11-9-15(2)25-24(20)28-23(19)22(14)27-16(3)26-13-18(27)12-17-6-4-5-7-21(17)26/h4-11,16,18H,12-13H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 369.47 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162296382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).