2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C21H20FN3O3 — CID 71461150

IUPAC2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c([nH]1)CCNC2=O
InChIInChI=1S/C21H20FN3O3/c1-12-7-13(22)3-4-19(12)28-11-14-8-15(20(27-2)10-24-14)18-9-16-17(25-18)5-6-23-21(16)26/h3-4,7-10,25H,5-6,11H2,1-2H3,(H,23,26)
InChIKeyWYOFSHLAFWJJAZ-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.40
Rot. Bonds5

About 2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 71461150) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID71461150
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c([nH]1)CCNC2=O
InChIInChI=1S/C21H20FN3O3/c1-12-7-13(22)3-4-19(12)28-11-14-8-15(20(27-2)10-24-14)18-9-16-17(25-18)5-6-23-21(16)26/h3-4,7-10,25H,5-6,11H2,1-2H3,(H,23,26)
InChIKeyWYOFSHLAFWJJAZ-UHFFFAOYSA-N
XLogP3.40
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 71461150) is 2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COc1cnc(COc2ccc(F)cc2C)cc1-c1cc2c([nH]1)CCNC2=O.
What is the InChIKey of 2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is WYOFSHLAFWJJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-12-7-13(22)3-4-19(12)28-11-14-8-15(20(27-2)10-24-14)18-9-16-17(25-18)5-6-23-21(16)26/h3-4,7-10,25H,5-6,11H2,1-2H3,(H,23,26).
What are the key properties of 2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 381.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluoro-2-methylphenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 71461150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).