5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile

C29H27N3O4 — CID 71664625

IUPAC5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc3cc(-c4cccc(N5CCOCC5)c4)oc23)ccc1OC1CCOCC1
InChIInChI=1S/C29H27N3O4/c30-19-22-16-20(4-5-27(22)35-24-7-12-33-13-8-24)25-6-9-31-26-18-28(36-29(25)26)21-2-1-3-23(17-21)32-10-14-34-15-11-32/h1-6,9,16-18,24H,7-8,10-15H2
InChIKeyOUFRLWVQMYZKFA-UHFFFAOYSA-N
MW481.55 g/mol
LogP5.43
Rot. Bonds5

About 5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile

5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 71664625) has the molecular formula C29H27N3O4 and a molecular weight of 481.55 g/mol. Its IUPAC name is 5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID71664625
Molecular FormulaC29H27N3O4
Molecular Weight481.55 g/mol
Exact Mass481.20
IUPAC Name5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc3cc(-c4cccc(N5CCOCC5)c4)oc23)ccc1OC1CCOCC1
InChIInChI=1S/C29H27N3O4/c30-19-22-16-20(4-5-27(22)35-24-7-12-33-13-8-24)25-6-9-31-26-18-28(36-29(25)26)21-2-1-3-23(17-21)32-10-14-34-15-11-32/h1-6,9,16-18,24H,7-8,10-15H2
InChIKeyOUFRLWVQMYZKFA-UHFFFAOYSA-N
XLogP5.43
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.55
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile (CID 71664625) is 5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile is N#Cc1cc(-c2ccnc3cc(-c4cccc(N5CCOCC5)c4)oc23)ccc1OC1CCOCC1.
What is the InChIKey of 5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is OUFRLWVQMYZKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O4/c30-19-22-16-20(4-5-27(22)35-24-7-12-33-13-8-24)25-6-9-31-26-18-28(36-29(25)26)21-2-1-3-23(17-21)32-10-14-34-15-11-32/h1-6,9,16-18,24H,7-8,10-15H2.
What are the key properties of 5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile?
5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 481.55 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-morpholin-4-ylphenyl)furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 71664625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).