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

C24H24N2O — CID 155612523

IUPAC8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(CC4CCCC4)ccn3)ccc(C)c12
InChIInChI=1S/C24H24N2O/c1-15-7-9-19(23-22(15)20-10-8-16(2)26-24(20)27-23)21-14-18(11-12-25-21)13-17-5-3-4-6-17/h7-12,14,17H,3-6,13H2,1-2H3
InChIKeyIFSIGPOSYZPNCA-UHFFFAOYSA-N
MW356.47 g/mol
LogP6.39
Rot. Bonds3

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

8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 155612523) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
PubChem CID155612523
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(n1)oc1c(-c3cc(CC4CCCC4)ccn3)ccc(C)c12
InChIInChI=1S/C24H24N2O/c1-15-7-9-19(23-22(15)20-10-8-16(2)26-24(20)27-23)21-14-18(11-12-25-21)13-17-5-3-4-6-17/h7-12,14,17H,3-6,13H2,1-2H3
InChIKeyIFSIGPOSYZPNCA-UHFFFAOYSA-N
XLogP6.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155611470
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine
CID 167356385
4-(cyclopentylmethyl)-2-(1-methyl-8-phenyldibenzothiophen-4-yl)pyridine
CID 166577234
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine
CID 169039009
4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707805
6-[5-(cyclopentylmethyl)-4-methyl-2-pyridinyl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 171435884
8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 155610719
5-methyl-2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155610853
4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
CID 166574332
8-pyridin-2-yl-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 122419767
8-[4-[1-(2-bicyclo[2.2.2]octanyl)-1-deuterioethyl]-2-pyridinyl]-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 171436078

Frequently Asked Questions

What is the IUPAC name of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine (CID 155612523) is 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(n1)oc1c(-c3cc(CC4CCCC4)ccn3)ccc(C)c12.
What is the InChIKey of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is IFSIGPOSYZPNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-15-7-9-19(23-22(15)20-10-8-16(2)26-24(20)27-23)21-14-18(11-12-25-21)13-17-5-3-4-6-17/h7-12,14,17H,3-6,13H2,1-2H3.
What are the key properties of 8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine?
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 356.47 g/mol, XLogP of 6.39, 3 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]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155612523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).