8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine

C29H26N2O — CID 167356385

IUPAC8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2ccccc2)c2c(n1)oc1c(-c3cc(CC4CCCC4)ccn3)cccc12
InChIInChI=1S/C29H26N2O/c1-19-16-25(22-10-3-2-4-11-22)27-24-13-7-12-23(28(24)32-29(27)31-19)26-18-21(14-15-30-26)17-20-8-5-6-9-20/h2-4,7,10-16,18,20H,5-6,8-9,17H2,1H3
InChIKeyMDMLYMUJHNEIDX-UHFFFAOYSA-N
MW418.54 g/mol
LogP7.75
Rot. Bonds4

About 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine

8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 167356385) has the molecular formula C29H26N2O and a molecular weight of 418.54 g/mol. Its IUPAC name is 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine
PubChem CID167356385
Molecular FormulaC29H26N2O
Molecular Weight418.54 g/mol
Exact Mass418.20
IUPAC Name8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2ccccc2)c2c(n1)oc1c(-c3cc(CC4CCCC4)ccn3)cccc12
InChIInChI=1S/C29H26N2O/c1-19-16-25(22-10-3-2-4-11-22)27-24-13-7-12-23(28(24)32-29(27)31-19)26-18-21(14-15-30-26)17-20-8-5-6-9-20/h2-4,7,10-16,18,20H,5-6,8-9,17H2,1H3
InChIKeyMDMLYMUJHNEIDX-UHFFFAOYSA-N
XLogP7.75
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine
CID 169039009
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155611470
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 155612523
4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
CID 166574332
4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707805
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 169038948
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039273
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine
CID 166577234
4-(cyclohexylmethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-4-yl]pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039109

Frequently Asked Questions

What is the IUPAC name of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine (CID 167356385) is 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine is Cc1cc(-c2ccccc2)c2c(n1)oc1c(-c3cc(CC4CCCC4)ccn3)cccc12.
What is the InChIKey of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is MDMLYMUJHNEIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O/c1-19-16-25(22-10-3-2-4-11-22)27-24-13-7-12-23(28(24)32-29(27)31-19)26-18-21(14-15-30-26)17-20-8-5-6-9-20/h2-4,7,10-16,18,20H,5-6,8-9,17H2,1H3.
What are the key properties of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine?
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 418.54 g/mol, XLogP of 7.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 167356385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).