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

C22H18FN3O3 — CID 70995266

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[2,3-c]pyridin-7-yl)pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c(oc2c1)CNCC3
InChIInChI=1S/C22H18FN3O3/c23-14-1-2-15(25-11-14)13-28-17-6-8-26(22(27)10-17)16-3-4-18-19-5-7-24-12-21(19)29-20(18)9-16/h1-4,6,8-11,24H,5,7,12-13H2
InChIKeyMJOYVWMSSDTNBJ-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.34
Rot. Bonds4

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

4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[2,3-c]pyridin-7-yl)pyridin-2-one (PubChem CID 70995266) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[2,3-c]pyridin-7-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[2,3-c]pyridin-7-yl)pyridin-2-one
PubChem CID70995266
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[2,3-c]pyridin-7-yl)pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c(oc2c1)CNCC3
InChIInChI=1S/C22H18FN3O3/c23-14-1-2-15(25-11-14)13-28-17-6-8-26(22(27)10-17)16-3-4-18-19-5-7-24-12-21(19)29-20(18)9-16/h1-4,6,8-11,24H,5,7,12-13H2
InChIKeyMJOYVWMSSDTNBJ-UHFFFAOYSA-N
XLogP3.34
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

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CID 164946801
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N-[(2S)-oxolan-2-ylmethyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine
CID 11603130
[7-Benzyl-2-(5-Fluoro-2-Methylphenoxy)-1-Phenyl-1h-Pyrrolo[2,3-C]pyridin-3-Yl](Piperazin-1-Yl)methanone
CID 53346499
2-[2-(4-fluoro-2-methylphenoxymethyl)-5-methoxypyridin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 71461150
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CID 44374493
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CID 2227674
2-{2-[(3,4-Difluorophenoxy)methyl]-5-Methoxypyridin-4-Yl}-1,5,6,7-Tetrahydro-4h-Pyrrolo[3,2-C]pyridin-4-One
CID 66575095
example 184 [WO2014186035]
CID 86280679
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506242
1-(4-benzoylpiperazin-1-yl)-2-(4-ethoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506248
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506330

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[2,3-c]pyridin-7-yl)pyridin-2-one?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[2,3-c]pyridin-7-yl)pyridin-2-one (CID 70995266) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[2,3-c]pyridin-7-yl)pyridin-2-one.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[2,3-c]pyridin-7-yl)pyridin-2-one?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[2,3-c]pyridin-7-yl)pyridin-2-one is O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccc2c3c(oc2c1)CNCC3.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[2,3-c]pyridin-7-yl)pyridin-2-one?
The InChIKey is MJOYVWMSSDTNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c23-14-1-2-15(25-11-14)13-28-17-6-8-26(22(27)10-17)16-3-4-18-19-5-7-24-12-21(19)29-20(18)9-16/h1-4,6,8-11,24H,5,7,12-13H2.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[2,3-c]pyridin-7-yl)pyridin-2-one?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(1,2,3,4-tetrahydro-[1]benzofuro[2,3-c]pyridin-7-yl)pyridin-2-one has a molecular weight of 391.40 g/mol, XLogP of 3.34, 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[2,3-c]pyridin-7-yl)pyridin-2-one is sourced from PubChem (CID 70995266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).