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

C19H16N2O — CID 90140758

IUPAC4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
SMILESCC(C)c1ccnc(-c2cncc3c2oc2ccccc23)c1
InChIInChI=1S/C19H16N2O/c1-12(2)13-7-8-21-17(9-13)16-11-20-10-15-14-5-3-4-6-18(14)22-19(15)16/h3-12H,1-2H3
InChIKeyOMCVBDMJRGJDEC-UHFFFAOYSA-N
MW288.35 g/mol
LogP5.17
Rot. Bonds2

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

4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine (PubChem CID 90140758) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
PubChem CID90140758
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
SMILESCC(C)c1ccnc(-c2cncc3c2oc2ccccc23)c1
InChIInChI=1S/C19H16N2O/c1-12(2)13-7-8-21-17(9-13)16-11-20-10-15-14-5-3-4-6-18(14)22-19(15)16/h3-12H,1-2H3
InChIKeyOMCVBDMJRGJDEC-UHFFFAOYSA-N
XLogP5.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-dibenzofuran-4-yl-4-propan-2-ylpyridine
CID 71236331
4-propan-2-yl-2-(7-propan-2-yldibenzofuran-4-yl)pyridine
CID 140607533
2-dibenzofuran-4-yl-4-(1-phenylethyl)pyridine
CID 162707337
4-(4-cyclohexyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 155612348
3-phenyl-8-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[2,3-c]pyridine
CID 155610525
2-(2-propan-2-yldibenzofuran-4-yl)pyridine
CID 156686806
2-(2,8-dimethyldibenzofuran-4-yl)-4-propan-2-ylpyridine
CID 156686701
4-(2-deuteriopropan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 166575304
4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-dibenzofuran-4-ylpyridine
CID 177279356
2-dibenzofuran-4-yl-5-propan-2-ylpyridine
CID 71236317
bis(4-(4-propan-2-ylphenyl)-[1]benzofuro[3,2-c]pyridine);6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine;6-(5-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 167695001
4-(2-deuteriopropan-2-yl)-2-[9-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
CID 162708909

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine (CID 90140758) is 4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine is CC(C)c1ccnc(-c2cncc3c2oc2ccccc23)c1.
What is the InChIKey of 4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
The InChIKey is OMCVBDMJRGJDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-12(2)13-7-8-21-17(9-13)16-11-20-10-15-14-5-3-4-6-18(14)22-19(15)16/h3-12H,1-2H3.
What are the key properties of 4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine?
4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine has a molecular weight of 288.35 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 90140758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).