2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol

C22H19FN2O — CID 51029734

IUPAC2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-c2ccn3nc(-c4ccc(F)cc4)cc3c2)c1
InChIInChI=1S/C22H19FN2O/c1-22(2,26)18-5-3-4-16(12-18)17-10-11-25-20(13-17)14-21(24-25)15-6-8-19(23)9-7-15/h3-14,26H,1-2H3
InChIKeyRXKNIYHSZWXYSQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.03
Rot. Bonds3

About 2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol

2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol (PubChem CID 51029734) has the molecular formula C22H19FN2O and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol
PubChem CID51029734
Molecular FormulaC22H19FN2O
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-c2ccn3nc(-c4ccc(F)cc4)cc3c2)c1
InChIInChI=1S/C22H19FN2O/c1-22(2,26)18-5-3-4-16(12-18)17-10-11-25-20(13-17)14-21(24-25)15-6-8-19(23)9-7-15/h3-14,26H,1-2H3
InChIKeyRXKNIYHSZWXYSQ-UHFFFAOYSA-N
XLogP5.03
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol (CID 51029734) is 2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol is CC(C)(O)c1cccc(-c2ccn3nc(-c4ccc(F)cc4)cc3c2)c1.
What is the InChIKey of 2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol?
The InChIKey is RXKNIYHSZWXYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O/c1-22(2,26)18-5-3-4-16(12-18)17-10-11-25-20(13-17)14-21(24-25)15-6-8-19(23)9-7-15/h3-14,26H,1-2H3.
What are the key properties of 2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol?
2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol has a molecular weight of 346.41 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]propan-2-ol is sourced from PubChem (CID 51029734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).