2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol

C17H11FN4O2 — CID 155115058

IUPAC2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol
SMILESOc1cccnc1-c1nc(-c2cccc(F)c2O)n2ncccc12
InChIInChI=1S/C17H11FN4O2/c18-11-5-1-4-10(16(11)24)17-21-14(12-6-2-9-20-22(12)17)15-13(23)7-3-8-19-15/h1-9,23-24H
InChIKeyPGWDGFFXPNKTET-UHFFFAOYSA-N
MW322.30 g/mol
LogP3.01
Rot. Bonds2

About 2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol

2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol (PubChem CID 155115058) has the molecular formula C17H11FN4O2 and a molecular weight of 322.30 g/mol. Its IUPAC name is 2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol
PubChem CID155115058
Molecular FormulaC17H11FN4O2
Molecular Weight322.30 g/mol
Exact Mass322.09
IUPAC Name2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol
SMILESOc1cccnc1-c1nc(-c2cccc(F)c2O)n2ncccc12
InChIInChI=1S/C17H11FN4O2/c18-11-5-1-4-10(16(11)24)17-21-14(12-6-2-9-20-22(12)17)15-13(23)7-3-8-19-15/h1-9,23-24H
InChIKeyPGWDGFFXPNKTET-UHFFFAOYSA-N
XLogP3.01
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol?
The IUPAC name of 2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol (CID 155115058) is 2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol.
What is the SMILES notation for 2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol?
The canonical SMILES for 2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol is Oc1cccnc1-c1nc(-c2cccc(F)c2O)n2ncccc12.
What is the InChIKey of 2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol?
The InChIKey is PGWDGFFXPNKTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2/c18-11-5-1-4-10(16(11)24)17-21-14(12-6-2-9-20-22(12)17)15-13(23)7-3-8-19-15/h1-9,23-24H.
What are the key properties of 2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol?
2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol has a molecular weight of 322.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol is sourced from PubChem (CID 155115058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).