2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine

C27H24N2O — CID 162710331

IUPAC2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
SMILESCC(C)c1ccnc(-c2ccc3oc4ccc(C(C)c5ccccc5)nc4c3c2)c1
InChIInChI=1S/C27H24N2O/c1-17(2)20-13-14-28-24(16-20)21-9-11-25-22(15-21)27-26(30-25)12-10-23(29-27)18(3)19-7-5-4-6-8-19/h4-18H,1-3H3
InChIKeyRQBDZAVIYZGGRP-UHFFFAOYSA-N
MW392.50 g/mol
LogP7.32
Rot. Bonds4

About 2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine

2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine (PubChem CID 162710331) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
PubChem CID162710331
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
SMILESCC(C)c1ccnc(-c2ccc3oc4ccc(C(C)c5ccccc5)nc4c3c2)c1
InChIInChI=1S/C27H24N2O/c1-17(2)20-13-14-28-24(16-20)21-9-11-25-22(15-21)27-26(30-25)12-10-23(29-27)18(3)19-7-5-4-6-8-19/h4-18H,1-3H3
InChIKeyRQBDZAVIYZGGRP-UHFFFAOYSA-N
XLogP7.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

8-[4-(1-phenylethyl)-2-pyridinyl]dibenzofuran-2-carbonitrile
CID 162709674
2-[8-(3-benzylphenyl)dibenzofuran-2-yl]-4-propan-2-ylpyridine
CID 169038662
1-benzyl-3-methyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 162709173
4-(2-deuteriopropan-2-yl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 155611009
4-benzyl-2-(8-propan-2-yldibenzofuran-2-yl)pyridine
CID 162707121
4-methyl-2-[7-(1-phenylethyl)dibenzofuran-2-yl]pyridine
CID 162708112
4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
CID 163739130
4-(1-phenylethyl)-2-[8-(4-phenylphenyl)dibenzofuran-4-yl]pyridine
CID 166575689
8-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 90140837
2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine
CID 164792300
2-[9,10-bis(trideuteriomethyl)phenanthren-2-yl]-4-propan-2-ylpyridine
CID 164792192
4-(2-deuteriopropan-2-yl)-2-(4-methyl-8-phenyldibenzofuran-2-yl)pyridine
CID 166574655

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine (CID 162710331) is 2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine is CC(C)c1ccnc(-c2ccc3oc4ccc(C(C)c5ccccc5)nc4c3c2)c1.
What is the InChIKey of 2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine?
The InChIKey is RQBDZAVIYZGGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-17(2)20-13-14-28-24(16-20)21-9-11-25-22(15-21)27-26(30-25)12-10-23(29-27)18(3)19-7-5-4-6-8-19/h4-18H,1-3H3.
What are the key properties of 2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine?
2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine has a molecular weight of 392.50 g/mol, XLogP of 7.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethyl)-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 162710331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).