4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine

C22H20N2O — CID 155612348

IUPAC4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc2c(c1)oc1c(-c3cc(C4CCCCC4)ccn3)cncc12
InChIInChI=1S/C22H20N2O/c1-2-6-15(7-3-1)16-10-11-24-20(12-16)19-14-23-13-18-17-8-4-5-9-21(17)25-22(18)19/h4-5,8-15H,1-3,6-7H2
InChIKeyXBCFFNCPNLJGEH-UHFFFAOYSA-N
MW328.42 g/mol
LogP6.09
Rot. Bonds2

About 4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine

4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine (PubChem CID 155612348) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
PubChem CID155612348
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc2c(c1)oc1c(-c3cc(C4CCCCC4)ccn3)cncc12
InChIInChI=1S/C22H20N2O/c1-2-6-15(7-3-1)16-10-11-24-20(12-16)19-14-23-13-18-17-8-4-5-9-21(17)25-22(18)19/h4-5,8-15H,1-3,6-7H2
InChIKeyXBCFFNCPNLJGEH-UHFFFAOYSA-N
XLogP6.09
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 ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 90140758
3-(2-dibenzofuran-4-yl-4-pyridinyl)cyclohexane-1-carbonitrile
CID 171576900
4-cyclohexyl-2-(6,8-diphenyldibenzofuran-4-yl)pyridine
CID 166573869
4-(2-adamantyl)-2-dibenzofuran-4-ylpyridine
CID 156655181
2-cyclohexyldibenzofuran
CID 163628573
2-(1-tert-butyl-7-phenyldibenzofuran-4-yl)-4-cyclohexylpyridine
CID 166574273
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039273
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169038715
2-(1-tert-butyl-6,8-diphenyldibenzofuran-4-yl)-4-cyclohexylpyridine
CID 171435652
trimethyl-[4-[4-(3,3,5,5-tetramethylcyclohexyl)-2-pyridinyl]dibenzofuran-1-yl]silane
CID 164796927
[4-(4-cyclohexyl-2-pyridinyl)dibenzothiophen-1-yl]-trimethylsilane
CID 155608457
6-cyclopentyl-1-[2-(2-methylpropyl)dibenzofuran-4-yl]isoquinoline
CID 166913046

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine (CID 155612348) is 4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine is c1ccc2c(c1)oc1c(-c3cc(C4CCCCC4)ccn3)cncc12.
What is the InChIKey of 4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
The InChIKey is XBCFFNCPNLJGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-2-6-15(7-3-1)16-10-11-24-20(12-16)19-14-23-13-18-17-8-4-5-9-21(17)25-22(18)19/h4-5,8-15H,1-3,6-7H2.
What are the key properties of 4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine has a molecular weight of 328.42 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 155612348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).