3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol

C18H12FN3O — CID 155569518

IUPAC3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol
SMILESOc1cccc(-c2nccc3[nH]nc(-c4cccc(F)c4)c23)c1
InChIInChI=1S/C18H12FN3O/c19-13-5-1-3-11(9-13)18-16-15(21-22-18)7-8-20-17(16)12-4-2-6-14(23)10-12/h1-10,23H,(H,21,22)
InChIKeyJXKSFBCWSKJZSF-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.14
Rot. Bonds2

About 3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol

3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol (PubChem CID 155569518) has the molecular formula C18H12FN3O and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol
PubChem CID155569518
Molecular FormulaC18H12FN3O
Molecular Weight305.31 g/mol
Exact Mass305.10
IUPAC Name3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol
SMILESOc1cccc(-c2nccc3[nH]nc(-c4cccc(F)c4)c23)c1
InChIInChI=1S/C18H12FN3O/c19-13-5-1-3-11(9-13)18-16-15(21-22-18)7-8-20-17(16)12-4-2-6-14(23)10-12/h1-10,23H,(H,21,22)
InChIKeyJXKSFBCWSKJZSF-UHFFFAOYSA-N
XLogP4.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol?
The IUPAC name of 3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol (CID 155569518) is 3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol.
What is the SMILES notation for 3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol?
The canonical SMILES for 3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol is Oc1cccc(-c2nccc3[nH]nc(-c4cccc(F)c4)c23)c1.
What is the InChIKey of 3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol?
The InChIKey is JXKSFBCWSKJZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O/c19-13-5-1-3-11(9-13)18-16-15(21-22-18)7-8-20-17(16)12-4-2-6-14(23)10-12/h1-10,23H,(H,21,22).
What are the key properties of 3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol?
3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol has a molecular weight of 305.31 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol is sourced from PubChem (CID 155569518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).