3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C25H21N3O2 — CID 162085685

IUPAC3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccc2oc3ncc(C)cc3c2c1.Cc1cnc2oc3ncc(C)cc3c2c1
InChIInChI=1S/C13H11NO.C12H10N2O/c1-8-3-4-12-10(5-8)11-6-9(2)7-14-13(11)15-12;1-7-3-9-10-4-8(2)6-14-12(10)15-11(9)13-5-7/h3-7H,1-2H3;3-6H,1-2H3
InChIKeyZCXSWZPXYXMKDR-UHFFFAOYSA-N
MW395.46 g/mol
LogP6.59
Rot. Bonds

About 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 162085685) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID162085685
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccc2oc3ncc(C)cc3c2c1.Cc1cnc2oc3ncc(C)cc3c2c1
InChIInChI=1S/C13H11NO.C12H10N2O/c1-8-3-4-12-10(5-8)11-6-9(2)7-14-13(11)15-12;1-7-3-9-10-4-8(2)6-14-12(10)15-11(9)13-5-7/h3-7H,1-2H3;3-6H,1-2H3
InChIKeyZCXSWZPXYXMKDR-UHFFFAOYSA-N
XLogP6.59
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

6-carbazol-9-yl-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329821
6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329801
2-dibenzofuran-2-yl-8-methyldibenzofuran;3-methyl-[1]benzofuro[2,3-b]pyridine;6-methyl-[1]benzofuro[2,3-b]pyridine;8-methyl-[1]benzofuro[2,3-b]pyridine;6-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;2-methyldibenzofuran;4-methyldibenzofuran;toluene
CID 159276038
2,6-dimethyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 20610489
3-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 90140779
8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 143777651
actinium;8-methyldibenzofuran-2-ol
CID 18739071
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
CID 59359477
8-methyldibenzofuran-2-carbonitrile
CID 118232593
7-bromo-2-methyldibenzofuran
CID 142427198
3-chloro-2,5-dimethyl-1-benzofuran
CID 90163019
2-iodo-3,5-dimethyl-1-benzofuran
CID 163624789

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 162085685) is 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1ccc2oc3ncc(C)cc3c2c1.Cc1cnc2oc3ncc(C)cc3c2c1.
What is the InChIKey of 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is ZCXSWZPXYXMKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.C12H10N2O/c1-8-3-4-12-10(5-8)11-6-9(2)7-14-13(11)15-12;1-7-3-9-10-4-8(2)6-14-12(10)15-11(9)13-5-7/h3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 395.46 g/mol, XLogP of 6.59, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-[1]benzofuro[2,3-b]pyridine;4,12-dimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 162085685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).