8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine

C29H26N2O — CID 90138333

IUPAC8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4ccc(C5CCCC5)cc4)ccn3)c(C)ccc12
InChIInChI=1S/C29H26N2O/c1-18-7-13-24-25-14-8-19(2)31-29(25)32-28(24)27(18)26-17-23(15-16-30-26)22-11-9-21(10-12-22)20-5-3-4-6-20/h7-17,20H,3-6H2,1-2H3
InChIKeyMSWKJWVYXILNOC-UHFFFAOYSA-N
MW418.54 g/mol
LogP7.98
Rot. Bonds3

About 8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine

8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 90138333) has the molecular formula C29H26N2O and a molecular weight of 418.54 g/mol. Its IUPAC name is 8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
PubChem CID90138333
Molecular FormulaC29H26N2O
Molecular Weight418.54 g/mol
Exact Mass418.20
IUPAC Name8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(-c4ccc(C5CCCC5)cc4)ccn3)c(C)ccc12
InChIInChI=1S/C29H26N2O/c1-18-7-13-24-25-14-8-19(2)31-29(25)32-28(24)27(18)26-17-23(15-16-30-26)22-11-9-21(10-12-22)20-5-3-4-6-20/h7-17,20H,3-6H2,1-2H3
InChIKeyMSWKJWVYXILNOC-UHFFFAOYSA-N
XLogP7.98
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

8-[5-(4-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 123677171
2,7-dimethyl-8-[4-(2,3,4,5,6-pentafluorophenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90138452
8-[3-(4-cyclopentylphenyl)-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 123588042
8-[5-(3-cyclopentylphenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 90138379
2,7-dimethyl-8-[5-(3-methylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90138337
2-methyl-8-pyridin-2-yl-[1]benzofuro[2,3-b]pyridin-7-amine
CID 176956277
8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121582
2-methyl-8-[4-(2-methyl-4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176779070
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 155612523
2-methyl-8-[4-(3-propan-2-ylphenyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 90121498
2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791495

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine (CID 90138333) is 8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(-c4ccc(C5CCCC5)cc4)ccn3)c(C)ccc12.
What is the InChIKey of 8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is MSWKJWVYXILNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O/c1-18-7-13-24-25-14-8-19(2)31-29(25)32-28(24)27(18)26-17-23(15-16-30-26)22-11-9-21(10-12-22)20-5-3-4-6-20/h7-17,20H,3-6H2,1-2H3.
What are the key properties of 8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine?
8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 418.54 g/mol, XLogP of 7.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-cyclopentylphenyl)-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90138333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).