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

C22H20N2O — CID 140791495

IUPAC2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccnc(-c2cccc3c2oc2nc(C4CCCC4)ccc23)c1
InChIInChI=1S/C22H20N2O/c1-14-11-12-23-20(13-14)18-8-4-7-16-17-9-10-19(15-5-2-3-6-15)24-22(17)25-21(16)18/h4,7-13,15H,2-3,5-6H2,1H3
InChIKeyMFCBQTRKRQNNRC-UHFFFAOYSA-N
MW328.42 g/mol
LogP6.01
Rot. Bonds2

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

2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 140791495) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID140791495
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccnc(-c2cccc3c2oc2nc(C4CCCC4)ccc23)c1
InChIInChI=1S/C22H20N2O/c1-14-11-12-23-20(13-14)18-8-4-7-16-17-9-10-19(15-5-2-3-6-15)24-22(17)25-21(16)18/h4,7-13,15H,2-3,5-6H2,1H3
InChIKeyMFCBQTRKRQNNRC-UHFFFAOYSA-N
XLogP6.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791331
2-(3-fluorophenyl)-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155612353
6-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 90140756
4-methyl-2-(6,7,8,9-tetrahydrodibenzofuran-4-yl)pyridine
CID 170518785
8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine
CID 157323519
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 169055491
CID 174072504
CID 174072504
8-(1-cyclopentylbenzo[f]quinolin-3-yl)-[1]benzofuro[2,3-b]pyridine
CID 140916393
8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 90121582
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
6-(4-methyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[3,2-b]pyridine
CID 90140768

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine (CID 140791495) is 2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is Cc1ccnc(-c2cccc3c2oc2nc(C4CCCC4)ccc23)c1.
What is the InChIKey of 2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is MFCBQTRKRQNNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-14-11-12-23-20(13-14)18-8-4-7-16-17-9-10-19(15-5-2-3-6-15)24-22(17)25-21(16)18/h4,7-13,15H,2-3,5-6H2,1H3.
What are the key properties of 2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine?
2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 328.42 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 140791495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).