2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C25H20N2O — CID 90138337

IUPAC2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cccc(-c2ccc(-c3c(C)ccc4c3oc3nc(C)ccc34)nc2)c1
InChIInChI=1S/C25H20N2O/c1-15-5-4-6-18(13-15)19-9-12-22(26-14-19)23-16(2)7-10-20-21-11-8-17(3)27-25(21)28-24(20)23/h4-14H,1-3H3
InChIKeyKLBDZPZIBUOMPH-UHFFFAOYSA-N
MW364.45 g/mol
LogP6.64
Rot. Bonds2

About 2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 90138337) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID90138337
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCc1cccc(-c2ccc(-c3c(C)ccc4c3oc3nc(C)ccc34)nc2)c1
InChIInChI=1S/C25H20N2O/c1-15-5-4-6-18(13-15)19-9-12-22(26-14-19)23-16(2)7-10-20-21-11-8-17(3)27-25(21)28-24(20)23/h4-14H,1-3H3
InChIKeyKLBDZPZIBUOMPH-UHFFFAOYSA-N
XLogP6.64
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 90138337) is 2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is Cc1cccc(-c2ccc(-c3c(C)ccc4c3oc3nc(C)ccc34)nc2)c1.
What is the InChIKey of 2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is KLBDZPZIBUOMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c1-15-5-4-6-18(13-15)19-9-12-22(26-14-19)23-16(2)7-10-20-21-11-8-17(3)27-25(21)28-24(20)23/h4-14H,1-3H3.
What are the key properties of 2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 364.45 g/mol, XLogP of 6.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90138337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).