2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone

C16H10Cl2F3N3O2 — CID 24798272

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C16H10Cl2F3N3O2/c1-26-15-3-2-8(12-5-14(16(19,20)21)23-24(12)15)13(25)4-9-10(17)6-22-7-11(9)18/h2-3,5-7H,4H2,1H3
InChIKeyOODHUQZPZLVRNY-UHFFFAOYSA-N
MW404.18 g/mol
LogP4.49
Rot. Bonds4

About 2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone

2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone (PubChem CID 24798272) has the molecular formula C16H10Cl2F3N3O2 and a molecular weight of 404.18 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone
PubChem CID24798272
Molecular FormulaC16H10Cl2F3N3O2
Molecular Weight404.18 g/mol
Exact Mass403.01
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C16H10Cl2F3N3O2/c1-26-15-3-2-8(12-5-14(16(19,20)21)23-24(12)15)13(25)4-9-10(17)6-22-7-11(9)18/h2-3,5-7H,4H2,1H3
InChIKeyOODHUQZPZLVRNY-UHFFFAOYSA-N
XLogP4.49
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.18
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone (CID 24798272) is 2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone?
The InChIKey is OODHUQZPZLVRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3N3O2/c1-26-15-3-2-8(12-5-14(16(19,20)21)23-24(12)15)13(25)4-9-10(17)6-22-7-11(9)18/h2-3,5-7H,4H2,1H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone has a molecular weight of 404.18 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone is sourced from PubChem (CID 24798272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).