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

C22H16F3N3O — CID 58013953

IUPAC7-methoxy-4-[(E)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(/C(=C/c2ccncc2)c2ccccc2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C22H16F3N3O/c1-29-21-8-7-17(19-14-20(22(23,24)25)27-28(19)21)18(16-5-3-2-4-6-16)13-15-9-11-26-12-10-15/h2-14H,1H3/b18-13+
InChIKeyQLZSESJZGHDIQQ-QGOAFFKASA-N
MW395.38 g/mol
LogP5.35
Rot. Bonds4

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

7-methoxy-4-[(E)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (PubChem CID 58013953) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is 7-methoxy-4-[(E)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methoxy-4-[(E)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
PubChem CID58013953
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name7-methoxy-4-[(E)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(/C(=C/c2ccncc2)c2ccccc2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C22H16F3N3O/c1-29-21-8-7-17(19-14-20(22(23,24)25)27-28(19)21)18(16-5-3-2-4-6-16)13-15-9-11-26-12-10-15/h2-14H,1H3/b18-13+
InChIKeyQLZSESJZGHDIQQ-QGOAFFKASA-N
XLogP5.35
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.35
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)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-methoxy-4-[(E)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CID 58013953) is 7-methoxy-4-[(E)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methoxy-4-[(E)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-methoxy-4-[(E)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is COc1ccc(/C(=C/c2ccncc2)c2ccccc2)c2cc(C(F)(F)F)nn12.
What is the InChIKey of 7-methoxy-4-[(E)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The InChIKey is QLZSESJZGHDIQQ-QGOAFFKASA-N. The full InChI is InChI=1S/C22H16F3N3O/c1-29-21-8-7-17(19-14-20(22(23,24)25)27-28(19)21)18(16-5-3-2-4-6-16)13-15-9-11-26-12-10-15/h2-14H,1H3/b18-13+.
What are the key properties of 7-methoxy-4-[(E)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
7-methoxy-4-[(E)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine has a molecular weight of 395.38 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(E)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 58013953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).