1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone

C17H14Cl2N4O2 — CID 25114583

IUPAC1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3CC3)nc12
InChIInChI=1S/C17H14Cl2N4O2/c1-25-15-5-4-13(23-17(15)21-16(22-23)9-2-3-9)14(24)6-10-11(18)7-20-8-12(10)19/h4-5,7-9H,2-3,6H2,1H3
InChIKeyHLKIKTJQVCVTJG-UHFFFAOYSA-N
MW377.23 g/mol
LogP3.74
Rot. Bonds5

About 1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone

1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone (PubChem CID 25114583) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is 1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone
PubChem CID25114583
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC Name1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3CC3)nc12
InChIInChI=1S/C17H14Cl2N4O2/c1-25-15-5-4-13(23-17(15)21-16(22-23)9-2-3-9)14(24)6-10-11(18)7-20-8-12(10)19/h4-5,7-9H,2-3,6H2,1H3
InChIKeyHLKIKTJQVCVTJG-UHFFFAOYSA-N
XLogP3.74
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone?
The IUPAC name of 1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone (CID 25114583) is 1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone?
The canonical SMILES for 1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(C3CC3)nc12.
What is the InChIKey of 1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone?
The InChIKey is HLKIKTJQVCVTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c1-25-15-5-4-13(23-17(15)21-16(22-23)9-2-3-9)14(24)6-10-11(18)7-20-8-12(10)19/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone?
1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone has a molecular weight of 377.23 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-(3,5-dichloro-4-pyridinyl)ethanone is sourced from PubChem (CID 25114583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).