4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine

C16H10Cl2F3N3O — CID 24798273

IUPAC4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(/C=C/c2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C16H10Cl2F3N3O/c1-25-15-5-3-9(2-4-10-11(17)7-22-8-12(10)18)13-6-14(16(19,20)21)23-24(13)15/h2-8H,1H3/b4-2+
InChIKeyCMHSUVQOBHWOJF-DUXPYHPUSA-N
MW388.18 g/mol
LogP5.23
Rot. Bonds3

About 4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine

4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (PubChem CID 24798273) has the molecular formula C16H10Cl2F3N3O and a molecular weight of 388.18 g/mol. Its IUPAC name is 4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
PubChem CID24798273
Molecular FormulaC16H10Cl2F3N3O
Molecular Weight388.18 g/mol
Exact Mass387.02
IUPAC Name4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(/C=C/c2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C16H10Cl2F3N3O/c1-25-15-5-3-9(2-4-10-11(17)7-22-8-12(10)18)13-6-14(16(19,20)21)23-24(13)15/h2-8H,1H3/b4-2+
InChIKeyCMHSUVQOBHWOJF-DUXPYHPUSA-N
XLogP5.23
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.18
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CID 24798273) is 4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is COc1ccc(/C=C/c2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12.
What is the InChIKey of 4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
The InChIKey is CMHSUVQOBHWOJF-DUXPYHPUSA-N. The full InChI is InChI=1S/C16H10Cl2F3N3O/c1-25-15-5-3-9(2-4-10-11(17)7-22-8-12(10)18)13-6-14(16(19,20)21)23-24(13)15/h2-8H,1H3/b4-2+.
What are the key properties of 4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine?
4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine has a molecular weight of 388.18 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3,5-dichloro-4-pyridinyl)ethenyl]-7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 24798273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).