4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one

C23H20FN3O2 — CID 76901117

IUPAC4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one
SMILESO=c1cc(CCc2ccc(F)cn2)ccn1-c1ccc2c3c(oc2c1)CCNC3
InChIInChI=1S/C23H20FN3O2/c24-16-2-4-17(26-13-16)3-1-15-8-10-27(23(28)11-15)18-5-6-19-20-14-25-9-7-21(20)29-22(19)12-18/h2,4-6,8,10-13,25H,1,3,7,9,14H2
InChIKeyPSYIKYLBJFVYGP-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.55
Rot. Bonds4

About 4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one

4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one (PubChem CID 76901117) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one
PubChem CID76901117
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one
SMILESO=c1cc(CCc2ccc(F)cn2)ccn1-c1ccc2c3c(oc2c1)CCNC3
InChIInChI=1S/C23H20FN3O2/c24-16-2-4-17(26-13-16)3-1-15-8-10-27(23(28)11-15)18-5-6-19-20-14-25-9-7-21(20)29-22(19)12-18/h2,4-6,8,10-13,25H,1,3,7,9,14H2
InChIKeyPSYIKYLBJFVYGP-UHFFFAOYSA-N
XLogP3.55
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one?
The IUPAC name of 4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one (CID 76901117) is 4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one.
What is the SMILES notation for 4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one?
The canonical SMILES for 4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one is O=c1cc(CCc2ccc(F)cn2)ccn1-c1ccc2c3c(oc2c1)CCNC3.
What is the InChIKey of 4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one?
The InChIKey is PSYIKYLBJFVYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c24-16-2-4-17(26-13-16)3-1-15-8-10-27(23(28)11-15)18-5-6-19-20-14-25-9-7-21(20)29-22(19)12-18/h2,4-6,8,10-13,25H,1,3,7,9,14H2.
What are the key properties of 4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one?
4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one has a molecular weight of 389.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-2-pyridinyl)ethyl]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one is sourced from PubChem (CID 76901117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).