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

C16H11ClF3N3O2 — CID 58013976

IUPAC2-(3-chloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2ccncc2Cl)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C16H11ClF3N3O2/c1-25-15-3-2-10(12-7-14(16(18,19)20)22-23(12)15)13(24)6-9-4-5-21-8-11(9)17/h2-5,7-8H,6H2,1H3
InChIKeyKHSFQOVZNVTWCE-UHFFFAOYSA-N
MW369.73 g/mol
LogP3.84
Rot. Bonds4

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

2-(3-chloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone (PubChem CID 58013976) has the molecular formula C16H11ClF3N3O2 and a molecular weight of 369.73 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone
PubChem CID58013976
Molecular FormulaC16H11ClF3N3O2
Molecular Weight369.73 g/mol
Exact Mass369.05
IUPAC Name2-(3-chloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2ccncc2Cl)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C16H11ClF3N3O2/c1-25-15-3-2-10(12-7-14(16(18,19)20)22-23(12)15)13(24)6-9-4-5-21-8-11(9)17/h2-5,7-8H,6H2,1H3
InChIKeyKHSFQOVZNVTWCE-UHFFFAOYSA-N
XLogP3.84
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone (CID 58013976) is 2-(3-chloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone is COc1ccc(C(=O)Cc2ccncc2Cl)c2cc(C(F)(F)F)nn12.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone?
The InChIKey is KHSFQOVZNVTWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2/c1-25-15-3-2-10(12-7-14(16(18,19)20)22-23(12)15)13(24)6-9-4-5-21-8-11(9)17/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone?
2-(3-chloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone has a molecular weight of 369.73 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone is sourced from PubChem (CID 58013976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).