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

C23H20FN3O3 — CID 76901292

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-[(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]pyridin-2-one
SMILESC[C@@H]1Cc2oc3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2CN1
InChIInChI=1S/C23H20FN3O3/c1-14-8-21-20(12-25-14)19-5-4-17(9-22(19)30-21)27-7-6-18(10-23(27)28)29-13-16-3-2-15(24)11-26-16/h2-7,9-11,14,25H,8,12-13H2,1H3/t14-/m1/s1
InChIKeySXWJPRMVEPPZFM-CQSZACIVSA-N
MW405.43 g/mol
LogP3.73
Rot. Bonds4

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

4-[(5-fluoro-2-pyridinyl)methoxy]-1-[(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]pyridin-2-one (PubChem CID 76901292) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-[(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]pyridin-2-one
PubChem CID76901292
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-[(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]pyridin-2-one
SMILESC[C@@H]1Cc2oc3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2CN1
InChIInChI=1S/C23H20FN3O3/c1-14-8-21-20(12-25-14)19-5-4-17(9-22(19)30-21)27-7-6-18(10-23(27)28)29-13-16-3-2-15(24)11-26-16/h2-7,9-11,14,25H,8,12-13H2,1H3/t14-/m1/s1
InChIKeySXWJPRMVEPPZFM-CQSZACIVSA-N
XLogP3.73
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

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CID 11663885
[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
2-{2-[(3,4-Difluorophenoxy)methyl]-5-Methoxypyridin-4-Yl}-1,5,6,7-Tetrahydro-4h-Pyrrolo[3,2-C]pyridin-4-One
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example 184 [WO2014186035]
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1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]pyridin-2-one?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]pyridin-2-one (CID 76901292) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]pyridin-2-one.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]pyridin-2-one?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]pyridin-2-one is C[C@@H]1Cc2oc3cc(-n4ccc(OCc5ccc(F)cn5)cc4=O)ccc3c2CN1.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]pyridin-2-one?
The InChIKey is SXWJPRMVEPPZFM-CQSZACIVSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-14-8-21-20(12-25-14)19-5-4-17(9-22(19)30-21)27-7-6-18(10-23(27)28)29-13-16-3-2-15(24)11-26-16/h2-7,9-11,14,25H,8,12-13H2,1H3/t14-/m1/s1.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-[(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]pyridin-2-one?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-[(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]pyridin-2-one has a molecular weight of 405.43 g/mol, XLogP of 3.73, 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-[(3R)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]pyridin-2-one is sourced from PubChem (CID 76901292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).