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

C20H18FN3O3 — CID 71452175

IUPAC2-[2-[(4-fluorophenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1cnc(COc2ccc(F)cc2)cc1-c1cc2c([nH]1)CCNC2=O
InChIInChI=1S/C20H18FN3O3/c1-26-19-10-23-13(11-27-14-4-2-12(21)3-5-14)8-15(19)18-9-16-17(24-18)6-7-22-20(16)25/h2-5,8-10,24H,6-7,11H2,1H3,(H,22,25)
InChIKeyKPGMXAQTPURKMK-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.09
Rot. Bonds5

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

2-[2-[(4-fluorophenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 71452175) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-[(4-fluorophenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID71452175
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2-[2-[(4-fluorophenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1cnc(COc2ccc(F)cc2)cc1-c1cc2c([nH]1)CCNC2=O
InChIInChI=1S/C20H18FN3O3/c1-26-19-10-23-13(11-27-14-4-2-12(21)3-5-14)8-15(19)18-9-16-17(24-18)6-7-22-20(16)25/h2-5,8-10,24H,6-7,11H2,1H3,(H,22,25)
InChIKeyKPGMXAQTPURKMK-UHFFFAOYSA-N
XLogP3.09
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(4-fluorophenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 16720207
CID 16720207
CID 71461150
CID 71461150
CID 142566590
CID 142566590
CID 9820874
CID 9820874
CID 66575095
CID 66575095
CID 168276974
CID 168276974
CID 10172789
CID 10172789
CID 25190886
CID 25190886
CID 127042442
CID 127042442
CID 16202187
CID 16202187
CID 24809726
CID 24809726
CID 44250361
CID 44250361

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-[(4-fluorophenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 71452175) is 2-[2-[(4-fluorophenoxy)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-fluorophenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-[(4-fluorophenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COc1cnc(COc2ccc(F)cc2)cc1-c1cc2c([nH]1)CCNC2=O.
What is the InChIKey of 2-[2-[(4-fluorophenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is KPGMXAQTPURKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-26-19-10-23-13(11-27-14-4-2-12(21)3-5-14)8-15(19)18-9-16-17(24-18)6-7-22-20(16)25/h2-5,8-10,24H,6-7,11H2,1H3,(H,22,25).
What are the key properties of 2-[2-[(4-fluorophenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-[(4-fluorophenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 367.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenoxy)methyl]-5-methoxy-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 71452175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).