7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine

C16H12F3N3O — CID 24798187

IUPAC7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(/C=C/c2ccncc2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C16H12F3N3O/c1-23-15-5-4-12(3-2-11-6-8-20-9-7-11)13-10-14(16(17,18)19)21-22(13)15/h2-10H,1H3/b3-2+
InChIKeyPRXNNQRBXHRZRG-NSCUHMNNSA-N
MW319.29 g/mol
LogP3.93
Rot. Bonds3

About 7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine

7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (PubChem CID 24798187) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
PubChem CID24798187
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(/C=C/c2ccncc2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C16H12F3N3O/c1-23-15-5-4-12(3-2-11-6-8-20-9-7-11)13-10-14(16(17,18)19)21-22(13)15/h2-10H,1H3/b3-2+
InChIKeyPRXNNQRBXHRZRG-NSCUHMNNSA-N
XLogP3.93
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CID 24798187) is 7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is COc1ccc(/C=C/c2ccncc2)c2cc(C(F)(F)F)nn12.
What is the InChIKey of 7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The InChIKey is PRXNNQRBXHRZRG-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-23-15-5-4-12(3-2-11-6-8-20-9-7-11)13-10-14(16(17,18)19)21-22(13)15/h2-10H,1H3/b3-2+.
What are the key properties of 7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine has a molecular weight of 319.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 24798187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).