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

C22H18F3N3O — CID 58014049

IUPAC7-methoxy-4-(1-phenyl-2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(C(Cc2ccncc2)c2ccccc2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C22H18F3N3O/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/h2-12,14,18H,13H2,1H3
InChIKeyTXSSPVQJIITRKT-UHFFFAOYSA-N
MW397.40 g/mol
LogP5.13
Rot. Bonds5

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

7-methoxy-4-(1-phenyl-2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (PubChem CID 58014049) has the molecular formula C22H18F3N3O and a molecular weight of 397.40 g/mol. Its IUPAC name is 7-methoxy-4-(1-phenyl-2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methoxy-4-(1-phenyl-2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
PubChem CID58014049
Molecular FormulaC22H18F3N3O
Molecular Weight397.40 g/mol
Exact Mass397.14
IUPAC Name7-methoxy-4-(1-phenyl-2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(C(Cc2ccncc2)c2ccccc2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C22H18F3N3O/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/h2-12,14,18H,13H2,1H3
InChIKeyTXSSPVQJIITRKT-UHFFFAOYSA-N
XLogP5.13
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(1-phenyl-2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-methoxy-4-(1-phenyl-2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CID 58014049) is 7-methoxy-4-(1-phenyl-2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methoxy-4-(1-phenyl-2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-methoxy-4-(1-phenyl-2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is COc1ccc(C(Cc2ccncc2)c2ccccc2)c2cc(C(F)(F)F)nn12.
What is the InChIKey of 7-methoxy-4-(1-phenyl-2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The InChIKey is TXSSPVQJIITRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O/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/h2-12,14,18H,13H2,1H3.
What are the key properties of 7-methoxy-4-(1-phenyl-2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
7-methoxy-4-(1-phenyl-2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine has a molecular weight of 397.40 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(1-phenyl-2-pyridin-4-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 58014049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).