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

C22H19ClFN3O3 — CID 86721508

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride
SMILESCl.O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c(oc2c1)CCNC3
InChIInChI=1S/C22H18FN3O3.ClH/c23-14-1-2-15(25-11-14)13-28-17-6-8-26(22(27)10-17)16-3-4-18-19-12-24-7-5-20(19)29-21(18)9-16;/h1-4,6,8-11,24H,5,7,12-13H2;1H
InChIKeyUXLMUHCSEDUOAY-UHFFFAOYSA-N
MW427.86 g/mol
LogP3.76
Rot. Bonds4

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

4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride (PubChem CID 86721508) has the molecular formula C22H19ClFN3O3 and a molecular weight of 427.86 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride
PubChem CID86721508
Molecular FormulaC22H19ClFN3O3
Molecular Weight427.86 g/mol
Exact Mass427.11
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride
SMILESCl.O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c(oc2c1)CCNC3
InChIInChI=1S/C22H18FN3O3.ClH/c23-14-1-2-15(25-11-14)13-28-17-6-8-26(22(27)10-17)16-3-4-18-19-12-24-7-5-20(19)29-21(18)9-16;/h1-4,6,8-11,24H,5,7,12-13H2;1H
InChIKeyUXLMUHCSEDUOAY-UHFFFAOYSA-N
XLogP3.76
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.86
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride (CID 86721508) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride is Cl.O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c(oc2c1)CCNC3.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride?
The InChIKey is UXLMUHCSEDUOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3.ClH/c23-14-1-2-15(25-11-14)13-28-17-6-8-26(22(27)10-17)16-3-4-18-19-12-24-7-5-20(19)29-21(18)9-16;/h1-4,6,8-11,24H,5,7,12-13H2;1H.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride has a molecular weight of 427.86 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;hydrochloride is sourced from PubChem (CID 86721508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).