8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine

C29H26N2O — CID 155611470

IUPAC8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(CC4CCCC4)ccn3)ccc(-c3ccccc3)c12
InChIInChI=1S/C29H26N2O/c1-19-11-12-25-27-23(22-9-3-2-4-10-22)13-14-24(28(27)32-29(25)31-19)26-18-21(15-16-30-26)17-20-7-5-6-8-20/h2-4,9-16,18,20H,5-8,17H2,1H3
InChIKeyHWDGPMOOGLKDPR-UHFFFAOYSA-N
MW418.54 g/mol
LogP7.75
Rot. Bonds4

About 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine

8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 155611470) 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-5-phenyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine
PubChem CID155611470
Molecular FormulaC29H26N2O
Molecular Weight418.54 g/mol
Exact Mass418.20
IUPAC Name8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(CC4CCCC4)ccn3)ccc(-c3ccccc3)c12
InChIInChI=1S/C29H26N2O/c1-19-11-12-25-27-23(22-9-3-2-4-10-22)13-14-24(28(27)32-29(25)31-19)26-18-21(15-16-30-26)17-20-7-5-6-8-20/h2-4,9-16,18,20H,5-8,17H2,1H3
InChIKeyHWDGPMOOGLKDPR-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-5-phenyl-[1]benzofuro[2,3-b]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 155612523
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine
CID 167356385
4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine
CID 169039009
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
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine
CID 166577234
4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707805
4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
CID 166574332
6-[4-(cyclohexylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155612679
5-tert-butyl-8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 167332662

Frequently Asked Questions

What is the IUPAC name of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine (CID 155611470) is 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(CC4CCCC4)ccn3)ccc(-c3ccccc3)c12.
What is the InChIKey of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is HWDGPMOOGLKDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O/c1-19-11-12-25-27-23(22-9-3-2-4-10-22)13-14-24(28(27)32-29(25)31-19)26-18-21(15-16-30-26)17-20-7-5-6-8-20/h2-4,9-16,18,20H,5-8,17H2,1H3.
What are the key properties of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine?
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-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-5-phenyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155611470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).