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

C20H20FN5O4 — CID 137052711

IUPAC2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2ccc3c(O)n(-c4cnn(CC(O)CF)c4)cc3n2)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/h3-5,7-9,11,14,27-28H,6,10H2,1-2H3
InChIKeyOKFQFXMFLGABJV-UHFFFAOYSA-N
MW413.41 g/mol
LogP2.34
Rot. Bonds7

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

2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137052711) 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]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137052711
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]pyrrolo[3,4-b]pyridin-5-ol
SMILESCOc1cc(-c2ccc3c(O)n(-c4cnn(CC(O)CF)c4)cc3n2)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/h3-5,7-9,11,14,27-28H,6,10H2,1-2H3
InChIKeyOKFQFXMFLGABJV-UHFFFAOYSA-N
XLogP2.34
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol (CID 137052711) is 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol is COc1cc(-c2ccc3c(O)n(-c4cnn(CC(O)CF)c4)cc3n2)cnc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is OKFQFXMFLGABJV-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/h3-5,7-9,11,14,27-28H,6,10H2,1-2H3.
What are the key properties of 2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol?
2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(3-fluoro-2-hydroxypropyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 413.41 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137052711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).