2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

C30H30N2O — CID 155612019

IUPAC2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCCC(C)(CC)c1ccnc(-c2cccc3c2oc2nc(-c4c(C)cccc4C)ccc23)c1
InChIInChI=1S/C30H30N2O/c1-6-30(5,7-2)21-16-17-31-26(18-21)24-13-9-12-22-23-14-15-25(32-29(23)33-28(22)24)27-19(3)10-8-11-20(27)4/h8-18H,6-7H2,1-5H3
InChIKeyNZCZISINBWODAE-UHFFFAOYSA-N
MW434.58 g/mol
LogP8.40
Rot. Bonds5

About 2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine

2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 155612019) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
PubChem CID155612019
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC Name2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
SMILESCCC(C)(CC)c1ccnc(-c2cccc3c2oc2nc(-c4c(C)cccc4C)ccc23)c1
InChIInChI=1S/C30H30N2O/c1-6-30(5,7-2)21-16-17-31-26(18-21)24-13-9-12-22-23-14-15-25(32-29(23)33-28(22)24)27-19(3)10-8-11-20(27)4/h8-18H,6-7H2,1-5H3
InChIKeyNZCZISINBWODAE-UHFFFAOYSA-N
XLogP8.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

2-[2,6-di(propan-2-yl)phenyl]-8-[4-methyl-5-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168827731
8-[5-(1,1-dideuterio-2,2-dimethylpropyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-(2,6-dimethylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827971
2-(2,6-dimethylphenyl)-8-(4,6-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 168827574
2-(4-fluoro-2,6-dimethylphenyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611638
8-[4-[4-(3-methylpentan-3-yl)-2-(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 158400173
2-(2,6-dimethylphenyl)-8-[5-(trideuteriomethyl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 168828023
2-tert-butyl-8-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 155611964
8-(5-tert-butyl-4-methyl-2-pyridinyl)-2-(2,6-dimethyl-4-phenylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 168827554
8-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-10-oxa-12-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 162708303
2-[2,6-di(propan-2-yl)phenyl]-8-(4-methyl-5-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 168827491
2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 155611540
8-[4-(3-deuteriopentan-3-yl)-2-pyridinyl]-2-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155610691

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine (CID 155612019) is 2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is CCC(C)(CC)c1ccnc(-c2cccc3c2oc2nc(-c4c(C)cccc4C)ccc23)c1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is NZCZISINBWODAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O/c1-6-30(5,7-2)21-16-17-31-26(18-21)24-13-9-12-22-23-14-15-25(32-29(23)33-28(22)24)27-19(3)10-8-11-20(27)4/h8-18H,6-7H2,1-5H3.
What are the key properties of 2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine?
2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 434.58 g/mol, XLogP of 8.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155612019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).