4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine

C33H18FN3O2 — CID 153311742

IUPAC4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine
SMILESFc1ccc2oc3c(-c4cccc(-c5ccnc6c5oc5c(-c7ccccn7)cccc56)c4)nccc3c2c1
InChIInChI=1S/C33H18FN3O2/c34-21-10-11-28-26(18-21)23-13-16-36-29(33(23)38-28)20-6-3-5-19(17-20)22-12-15-37-30-25-8-4-7-24(31(25)39-32(22)30)27-9-1-2-14-35-27/h1-18H
InChIKeyXKVNVGPHSZXVAU-UHFFFAOYSA-N
MW507.52 g/mol
LogP8.81
Rot. Bonds3

About 4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine

4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine (PubChem CID 153311742) has the molecular formula C33H18FN3O2 and a molecular weight of 507.52 g/mol. Its IUPAC name is 4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine
PubChem CID153311742
Molecular FormulaC33H18FN3O2
Molecular Weight507.52 g/mol
Exact Mass507.14
IUPAC Name4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine
SMILESFc1ccc2oc3c(-c4cccc(-c5ccnc6c5oc5c(-c7ccccn7)cccc56)c4)nccc3c2c1
InChIInChI=1S/C33H18FN3O2/c34-21-10-11-28-26(18-21)23-13-16-36-29(33(23)38-28)20-6-3-5-19(17-20)22-12-15-37-30-25-8-4-7-24(31(25)39-32(22)30)27-9-1-2-14-35-27/h1-18H
InChIKeyXKVNVGPHSZXVAU-UHFFFAOYSA-N
XLogP8.81
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.52
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
6-(4-Piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine
CID 164946801
example 184 [WO2014186035]
CID 86280679
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furo[3,2-b]pyridine
CID 10823129
4-[(6-{2-[2-(1-Piperidinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274469
4-[(6-{2-[2-(4-Morpholinyl)ethyl]-1-benzofuran-5-yl}-3-pyridinyl)carbonyl]morpholine
CID 22274699
(NE)-N-[5-[(2-pyridin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 136030631
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine
CID 24818798
5-((3-(2-Phenylbicyclo[2.2.1]heptan-2-yl)-4-(pyridin-2-ylmethoxy)phenoxy)methyl)furo[3,2-b]pyridine
CID 44447717
5-(2-methyl-2H-imidazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
CID 168275880
4-(5-Pyridin-4-yl-furo[2,3-c]pyridin-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 71736572
4-[5-(3-Fluoro-pyridin-4-yl)-furo[2,3-c]pyridin-2-yl]-piperidine-1-carboxylic acid tert-butyl ester
CID 71736719

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine (CID 153311742) is 4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine is Fc1ccc2oc3c(-c4cccc(-c5ccnc6c5oc5c(-c7ccccn7)cccc56)c4)nccc3c2c1.
What is the InChIKey of 4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is XKVNVGPHSZXVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18FN3O2/c34-21-10-11-28-26(18-21)23-13-16-36-29(33(23)38-28)20-6-3-5-19(17-20)22-12-15-37-30-25-8-4-7-24(31(25)39-32(22)30)27-9-1-2-14-35-27/h1-18H.
What are the key properties of 4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine?
4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 507.52 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-fluoro-[1]benzofuro[2,3-c]pyridin-1-yl)phenyl]-6-pyridin-2-yl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 153311742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).