1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol

C22H18F3N3O2 — CID 58014006

IUPAC1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol
SMILESCOc1ccc(C(O)(Cc2ccncc2)c2ccccc2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C22H18F3N3O2/c1-30-20-8-7-17(18-13-19(22(23,24)25)27-28(18)20)21(29,16-5-3-2-4-6-16)14-15-9-11-26-12-10-15/h2-13,29H,14H2,1H3
InChIKeyUXGZOJZQOXSXLR-UHFFFAOYSA-N
MW413.40 g/mol
LogP4.24
Rot. Bonds5

About 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol

1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol (PubChem CID 58014006) has the molecular formula C22H18F3N3O2 and a molecular weight of 413.40 g/mol. Its IUPAC name is 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol
PubChem CID58014006
Molecular FormulaC22H18F3N3O2
Molecular Weight413.40 g/mol
Exact Mass413.14
IUPAC Name1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol
SMILESCOc1ccc(C(O)(Cc2ccncc2)c2ccccc2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C22H18F3N3O2/c1-30-20-8-7-17(18-13-19(22(23,24)25)27-28(18)20)21(29,16-5-3-2-4-6-16)14-15-9-11-26-12-10-15/h2-13,29H,14H2,1H3
InChIKeyUXGZOJZQOXSXLR-UHFFFAOYSA-N
XLogP4.24
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol?
The IUPAC name of 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol (CID 58014006) is 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol.
What is the SMILES notation for 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol?
The canonical SMILES for 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol is COc1ccc(C(O)(Cc2ccncc2)c2ccccc2)c2cc(C(F)(F)F)nn12.
What is the InChIKey of 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol?
The InChIKey is UXGZOJZQOXSXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O2/c1-30-20-8-7-17(18-13-19(22(23,24)25)27-28(18)20)21(29,16-5-3-2-4-6-16)14-15-9-11-26-12-10-15/h2-13,29H,14H2,1H3.
What are the key properties of 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol?
1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol has a molecular weight of 413.40 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-1-phenyl-2-pyridin-4-ylethanol is sourced from PubChem (CID 58014006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).