4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine

C28H26N2O — CID 162708647

IUPAC4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
SMILESCc1cnc(-c2cc(Cc3ccccc3)c3oc4ccccc4c3n2)cc1CC(C)C
InChIInChI=1S/C28H26N2O/c1-18(2)13-21-15-24(29-17-19(21)3)25-16-22(14-20-9-5-4-6-10-20)28-27(30-25)23-11-7-8-12-26(23)31-28/h4-12,15-18H,13-14H2,1-3H3
InChIKeyDIDRJQAQUMMYFV-UHFFFAOYSA-N
MW406.53 g/mol
LogP7.14
Rot. Bonds5

About 4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine

4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 162708647) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID162708647
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
SMILESCc1cnc(-c2cc(Cc3ccccc3)c3oc4ccccc4c3n2)cc1CC(C)C
InChIInChI=1S/C28H26N2O/c1-18(2)13-21-15-24(29-17-19(21)3)25-16-22(14-20-9-5-4-6-10-20)28-27(30-25)23-11-7-8-12-26(23)31-28/h4-12,15-18H,13-14H2,1-3H3
InChIKeyDIDRJQAQUMMYFV-UHFFFAOYSA-N
XLogP7.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

2-(7-benzyldibenzofuran-4-yl)-5-methyl-4-(2-methylpropyl)pyridine
CID 162707916
4-benzyl-2-dibenzofuran-4-yl-5-methylpyridine
CID 162707040
5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162708849
1-methyl-4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-7-(1-phenylethyl)-[1]benzofuro[3,2-c]pyridine
CID 162710494
4-benzyl-5-methyl-2-phenylpyridine
CID 162707148
iridium;4-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-3H-[1]benzofuro[3,2-c]pyridin-3-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155611614
5-methyl-4-(2-methylpropyl)-2-[9-(2-phenylpropan-2-yl)dibenzofuran-2-yl]pyridine
CID 162708883
4-bromo-2-(2-methylpropyl)dibenzofuran
CID 166913108
2-benzyl-6-methyldibenzofuran
CID 155004540
4-(1,1-dideuterio-2-methylpropyl)-2-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-5-(trideuteriomethyl)pyridine
CID 169291810
3-[2-(2-methylpropyl)dibenzofuran-4-yl]benzo[f]quinoline
CID 140916453
4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;4-(cyclohexylmethyl)-5-methyl-2-phenylpyridine;iridium
CID 162707719

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine (CID 162708647) is 4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine is Cc1cnc(-c2cc(Cc3ccccc3)c3oc4ccccc4c3n2)cc1CC(C)C.
What is the InChIKey of 4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is DIDRJQAQUMMYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c1-18(2)13-21-15-24(29-17-19(21)3)25-16-22(14-20-9-5-4-6-10-20)28-27(30-25)23-11-7-8-12-26(23)31-28/h4-12,15-18H,13-14H2,1-3H3.
What are the key properties of 4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine?
4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 406.53 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[5-methyl-4-(2-methylpropyl)-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 162708647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).