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

C22H20N2O — CID 157323519

IUPAC8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C1([2H])CCCC1([2H])c1ccc2c(n1)oc1c(-c3ccc(C)cn3)cccc12
InChIInChI=1S/C22H20N2O/c1-14-9-11-20(23-13-14)18-8-4-7-16-17-10-12-19(15-5-2-3-6-15)24-22(17)25-21(16)18/h4,7-13,15H,2-3,5-6H2,1H3/i5D2,15D
InChIKeySBWOHIFKVDZTEX-PXTVCDRMSA-N
MW331.43 g/mol
LogP6.01
Rot. Bonds2

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

8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 157323519) has the molecular formula C22H20N2O and a molecular weight of 331.43 g/mol. Its IUPAC name is 8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine
PubChem CID157323519
Molecular FormulaC22H20N2O
Molecular Weight331.43 g/mol
Exact Mass331.18
IUPAC Name8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine
SMILES[2H]C1([2H])CCCC1([2H])c1ccc2c(n1)oc1c(-c3ccc(C)cn3)cccc12
InChIInChI=1S/C22H20N2O/c1-14-9-11-20(23-13-14)18-8-4-7-16-17-10-12-19(15-5-2-3-6-15)24-22(17)25-21(16)18/h4,7-13,15H,2-3,5-6H2,1H3/i5D2,15D
InChIKeySBWOHIFKVDZTEX-PXTVCDRMSA-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 ≤ 500331.43
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

CID 174116029
CID 174116029
2-cyclopentyl-8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791331
2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168828023
2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791495
2-ethyl-8-(5-ethyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(5-ethyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-(2-methylpropyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(1,2,2,6,6-pentadeuteriocyclohexyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(2-phenyl-5-(trideuteriomethyl)pyridine);2-(1,2,2-trideuteriocyclopentyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 159482380
8-(5-ethyl-2-pyridinyl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 140791475
8-[5-(3,5-dimethylcyclohexyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827967
2-(1-deuteriocyclohexyl)-7-methyl-8-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 164797804
5-methyl-2-naphthalen-1-ylpyridine
CID 59742245
2-ethyl-8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-2-(1,2,2,6,6-pentadeuteriocyclohexyl)-[1]benzofuro[2,3-b]pyridine;8-(4-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine
CID 160590715
[4-(2-deuteriopropan-2-yl)-6-(2-methyl-[1]benzofuro[2,3-b]pyridin-8-yl)-3-pyridinyl]-trimethylgermane
CID 170531828
5-bromo-8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine;methane;trimethyl-[8-(5-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridin-5-yl]silane
CID 165028059

Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine (CID 157323519) is 8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine is [2H]C1([2H])CCCC1([2H])c1ccc2c(n1)oc1c(-c3ccc(C)cn3)cccc12.
What is the InChIKey of 8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is SBWOHIFKVDZTEX-PXTVCDRMSA-N. The full InChI is InChI=1S/C22H20N2O/c1-14-9-11-20(23-13-14)18-8-4-7-16-17-10-12-19(15-5-2-3-6-15)24-22(17)25-21(16)18/h4,7-13,15H,2-3,5-6H2,1H3/i5D2,15D.
What are the key properties of 8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine?
8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 331.43 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 8-(5-methyl-2-pyridinyl)-2-(1,2,2-trideuteriocyclopentyl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 157323519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).