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

C18H12Cl2N4O3 — CID 25114800

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-[2-(furan-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(-c3ccco3)nc12
InChIInChI=1S/C18H12Cl2N4O3/c1-26-16-5-4-13(14(25)7-10-11(19)8-21-9-12(10)20)24-18(16)22-17(23-24)15-3-2-6-27-15/h2-6,8-9H,7H2,1H3
InChIKeyWOWDDTFMTILECG-UHFFFAOYSA-N
MW403.23 g/mol
LogP4.13
Rot. Bonds5

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

2-(3,5-dichloro-4-pyridinyl)-1-[2-(furan-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone (PubChem CID 25114800) has the molecular formula C18H12Cl2N4O3 and a molecular weight of 403.23 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-[2-(furan-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-[2-(furan-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
PubChem CID25114800
Molecular FormulaC18H12Cl2N4O3
Molecular Weight403.23 g/mol
Exact Mass402.03
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-[2-(furan-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(-c3ccco3)nc12
InChIInChI=1S/C18H12Cl2N4O3/c1-26-16-5-4-13(14(25)7-10-11(19)8-21-9-12(10)20)24-18(16)22-17(23-24)15-3-2-6-27-15/h2-6,8-9H,7H2,1H3
InChIKeyWOWDDTFMTILECG-UHFFFAOYSA-N
XLogP4.13
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[2-(furan-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[2-(furan-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone (CID 25114800) is 2-(3,5-dichloro-4-pyridinyl)-1-[2-(furan-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-[2-(furan-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-[2-(furan-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(-c3ccco3)nc12.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-[2-(furan-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The InChIKey is WOWDDTFMTILECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O3/c1-26-16-5-4-13(14(25)7-10-11(19)8-21-9-12(10)20)24-18(16)22-17(23-24)15-3-2-6-27-15/h2-6,8-9H,7H2,1H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-[2-(furan-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-[2-(furan-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone has a molecular weight of 403.23 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-pyridinyl)-1-[2-(furan-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone is sourced from PubChem (CID 25114800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).