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

C22H18Cl2N4O3 — CID 25114801

IUPAC2-(3,5-dichloro-4-pyridinyl)-1-[8-methoxy-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(COCc3ccccc3)nc12
InChIInChI=1S/C22H18Cl2N4O3/c1-30-20-8-7-18(19(29)9-15-16(23)10-25-11-17(15)24)28-22(20)26-21(27-28)13-31-12-14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3
InChIKeyHGOKLMCRCFVGJF-UHFFFAOYSA-N
MW457.32 g/mol
LogP4.58
Rot. Bonds8

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

2-(3,5-dichloro-4-pyridinyl)-1-[8-methoxy-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone (PubChem CID 25114801) has the molecular formula C22H18Cl2N4O3 and a molecular weight of 457.32 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-pyridinyl)-1-[8-methoxy-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dichloro-4-pyridinyl)-1-[8-methoxy-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
PubChem CID25114801
Molecular FormulaC22H18Cl2N4O3
Molecular Weight457.32 g/mol
Exact Mass456.08
IUPAC Name2-(3,5-dichloro-4-pyridinyl)-1-[8-methoxy-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(COCc3ccccc3)nc12
InChIInChI=1S/C22H18Cl2N4O3/c1-30-20-8-7-18(19(29)9-15-16(23)10-25-11-17(15)24)28-22(20)26-21(27-28)13-31-12-14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3
InChIKeyHGOKLMCRCFVGJF-UHFFFAOYSA-N
XLogP4.58
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 54.58
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-[8-methoxy-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The IUPAC name of 2-(3,5-dichloro-4-pyridinyl)-1-[8-methoxy-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone (CID 25114801) is 2-(3,5-dichloro-4-pyridinyl)-1-[8-methoxy-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(3,5-dichloro-4-pyridinyl)-1-[8-methoxy-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(3,5-dichloro-4-pyridinyl)-1-[8-methoxy-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone is COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(COCc3ccccc3)nc12.
What is the InChIKey of 2-(3,5-dichloro-4-pyridinyl)-1-[8-methoxy-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
The InChIKey is HGOKLMCRCFVGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O3/c1-30-20-8-7-18(19(29)9-15-16(23)10-25-11-17(15)24)28-22(20)26-21(27-28)13-31-12-14-5-3-2-4-6-14/h2-8,10-11H,9,12-13H2,1H3.
What are the key properties of 2-(3,5-dichloro-4-pyridinyl)-1-[8-methoxy-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone?
2-(3,5-dichloro-4-pyridinyl)-1-[8-methoxy-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone has a molecular weight of 457.32 g/mol, XLogP of 4.58, 8 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-[8-methoxy-2-(phenylmethoxymethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]ethanone is sourced from PubChem (CID 25114801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).