6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol

C18H14FN3O2 — CID 170214866

IUPAC6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol
SMILESOC1=C(c2nc(-c3cc(F)ccc3O)n3ccccc23)N=CCC1
InChIInChI=1S/C18H14FN3O2/c19-11-6-7-14(23)12(10-11)18-21-16(13-4-1-2-9-22(13)18)17-15(24)5-3-8-20-17/h1-2,4,6-10,23-24H,3,5H2
InChIKeyBJCRUOCNDOJDCW-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.94
Rot. Bonds2

About 6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol

6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol (PubChem CID 170214866) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol.

Molecular Properties

Compound Name6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol
PubChem CID170214866
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol
SMILESOC1=C(c2nc(-c3cc(F)ccc3O)n3ccccc23)N=CCC1
InChIInChI=1S/C18H14FN3O2/c19-11-6-7-14(23)12(10-11)18-21-16(13-4-1-2-9-22(13)18)17-15(24)5-3-8-20-17/h1-2,4,6-10,23-24H,3,5H2
InChIKeyBJCRUOCNDOJDCW-UHFFFAOYSA-N
XLogP3.94
TPSA70.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol?
The IUPAC name of 6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol (CID 170214866) is 6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol.
What is the SMILES notation for 6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol?
The canonical SMILES for 6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol is OC1=C(c2nc(-c3cc(F)ccc3O)n3ccccc23)N=CCC1.
What is the InChIKey of 6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol?
The InChIKey is BJCRUOCNDOJDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-11-6-7-14(23)12(10-11)18-21-16(13-4-1-2-9-22(13)18)17-15(24)5-3-8-20-17/h1-2,4,6-10,23-24H,3,5H2.
What are the key properties of 6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol?
6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol has a molecular weight of 323.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-fluoro-2-hydroxyphenyl)imidazo[1,5-a]pyridin-1-yl]-3,4-dihydropyridin-5-ol is sourced from PubChem (CID 170214866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).