4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine

C27H14FN3O2 — CID 142336604

IUPAC4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine
SMILESFc1ccc2oc3c(-c4cncc(-c5ccnc6c5oc5ccccc56)c4)ccnc3c2c1
InChIInChI=1S/C27H14FN3O2/c28-17-5-6-23-21(12-17)25-27(33-23)19(8-10-31-25)16-11-15(13-29-14-16)18-7-9-30-24-20-3-1-2-4-22(20)32-26(18)24/h1-14H
InChIKeyCZZNAIKGQNOWQI-UHFFFAOYSA-N
MW431.43 g/mol
LogP7.14
Rot. Bonds2

About 4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine

4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine (PubChem CID 142336604) has the molecular formula C27H14FN3O2 and a molecular weight of 431.43 g/mol. Its IUPAC name is 4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine
PubChem CID142336604
Molecular FormulaC27H14FN3O2
Molecular Weight431.43 g/mol
Exact Mass431.11
IUPAC Name4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine
SMILESFc1ccc2oc3c(-c4cncc(-c5ccnc6c5oc5ccccc56)c4)ccnc3c2c1
InChIInChI=1S/C27H14FN3O2/c28-17-5-6-23-21(12-17)25-27(33-23)19(8-10-31-25)16-11-15(13-29-14-16)18-7-9-30-24-20-3-1-2-4-22(20)32-26(18)24/h1-14H
InChIKeyCZZNAIKGQNOWQI-UHFFFAOYSA-N
XLogP7.14
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.43
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[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
FUB-PB-22 compound
CID 91936864
5-(1-Methyl-1H-pyrazol-4-yl)-3-(3-(pyridin-4-yl)phenyl)furo[3,2-b]pyridine
CID 155891794
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
2-(4-Methoxyphenyl)-3-(6-methoxy-3-pyridinyl)furo[3,2-b]pyridine
CID 24818798
2-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]furo[3,2-b]pyridine
CID 24819159
5-((3-(2-Phenylbicyclo[2.2.1]heptan-2-yl)-4-(pyridin-2-ylmethoxy)phenoxy)methyl)furo[3,2-b]pyridine
CID 44447717
(NZ)-N-[5-[(2-pyridin-3-ylfuro[2,3-c]pyridin-3-yl)amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 53316583
5-(2-methyl-2H-imidazol-4-yl)-3-(3-pyridin-4-ylphenyl)furo[3,2-b]pyridine
CID 168275880
4-(1,3-Benzoxazol-2-yl)quinoline
CID 618687

Frequently Asked Questions

What is the IUPAC name of 4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine (CID 142336604) is 4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine is Fc1ccc2oc3c(-c4cncc(-c5ccnc6c5oc5ccccc56)c4)ccnc3c2c1.
What is the InChIKey of 4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine?
The InChIKey is CZZNAIKGQNOWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H14FN3O2/c28-17-5-6-23-21(12-17)25-27(33-23)19(8-10-31-25)16-11-15(13-29-14-16)18-7-9-30-24-20-3-1-2-4-22(20)32-26(18)24/h1-14H.
What are the key properties of 4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine?
4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine has a molecular weight of 431.43 g/mol, XLogP of 7.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-([1]benzofuro[3,2-b]pyridin-4-yl)-3-pyridinyl]-8-fluoro-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 142336604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).