2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

C20H20FN5O4 — CID 53327233

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cc(-c2ccc3c(n2)CN(c2cnn(CC(O)CF)c2)C3=O)cnc1OC
InChIInChI=1S/C20H20FN5O4/c1-29-18-5-12(7-22-19(18)30-2)16-4-3-15-17(24-16)11-26(20(15)28)13-8-23-25(9-13)10-14(27)6-21/h3-5,7-9,14,27H,6,10-11H2,1-2H3
InChIKeyUMJUQJCDNBMPGJ-UHFFFAOYSA-N
MW413.41 g/mol
LogP1.85
Rot. Bonds7

About 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 53327233) has the molecular formula C20H20FN5O4 and a molecular weight of 413.41 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID53327233
Molecular FormulaC20H20FN5O4
Molecular Weight413.41 g/mol
Exact Mass413.15
IUPAC Name2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cc(-c2ccc3c(n2)CN(c2cnn(CC(O)CF)c2)C3=O)cnc1OC
InChIInChI=1S/C20H20FN5O4/c1-29-18-5-12(7-22-19(18)30-2)16-4-3-15-17(24-16)11-26(20(15)28)13-8-23-25(9-13)10-14(27)6-21/h3-5,7-9,14,27H,6,10-11H2,1-2H3
InChIKeyUMJUQJCDNBMPGJ-UHFFFAOYSA-N
XLogP1.85
TPSA102.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 53327233) is 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is COc1cc(-c2ccc3c(n2)CN(c2cnn(CC(O)CF)c2)C3=O)cnc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is UMJUQJCDNBMPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O4/c1-29-18-5-12(7-22-19(18)30-2)16-4-3-15-17(24-16)11-26(20(15)28)13-8-23-25(9-13)10-14(27)6-21/h3-5,7-9,14,27H,6,10-11H2,1-2H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 413.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 53327233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).