[3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol

C20H13ClF2N2O — CID 70313621

IUPAC[3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol
SMILESOCc1c(F)ccc(-c2ccn3nc(-c4ccc(Cl)cc4)cc3c2)c1F
InChIInChI=1S/C20H13ClF2N2O/c21-14-3-1-12(2-4-14)19-10-15-9-13(7-8-25(15)24-19)16-5-6-18(22)17(11-26)20(16)23/h1-10,26H,11H2
InChIKeyURWBYHBROBIIIX-UHFFFAOYSA-N
MW370.79 g/mol
LogP5.09
Rot. Bonds3

About [3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol

[3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol (PubChem CID 70313621) has the molecular formula C20H13ClF2N2O and a molecular weight of 370.79 g/mol. Its IUPAC name is [3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol.

Molecular Properties

Compound Name[3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol
PubChem CID70313621
Molecular FormulaC20H13ClF2N2O
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name[3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol
SMILESOCc1c(F)ccc(-c2ccn3nc(-c4ccc(Cl)cc4)cc3c2)c1F
InChIInChI=1S/C20H13ClF2N2O/c21-14-3-1-12(2-4-14)19-10-15-9-13(7-8-25(15)24-19)16-5-6-18(22)17(11-26)20(16)23/h1-10,26H,11H2
InChIKeyURWBYHBROBIIIX-UHFFFAOYSA-N
XLogP5.09
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.79
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol?
The IUPAC name of [3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol (CID 70313621) is [3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol.
What is the SMILES notation for [3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol?
The canonical SMILES for [3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol is OCc1c(F)ccc(-c2ccn3nc(-c4ccc(Cl)cc4)cc3c2)c1F.
What is the InChIKey of [3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol?
The InChIKey is URWBYHBROBIIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N2O/c21-14-3-1-12(2-4-14)19-10-15-9-13(7-8-25(15)24-19)16-5-6-18(22)17(11-26)20(16)23/h1-10,26H,11H2.
What are the key properties of [3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol?
[3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol has a molecular weight of 370.79 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-2,6-difluorophenyl]methanol is sourced from PubChem (CID 70313621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).