5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C20H21N5O2 — CID 66636303

IUPAC5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(OC)n2nc(CCc3nc(-c4ccccc4)cn3C)nc12
InChIInChI=1S/C20H21N5O2/c1-24-13-15(14-7-5-4-6-8-14)21-18(24)11-10-17-22-20-16(26-2)9-12-19(27-3)25(20)23-17/h4-9,12-13H,10-11H2,1-3H3
InChIKeyVKWQZGRRUPRTDS-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.93
Rot. Bonds6

About 5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 66636303) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID66636303
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(OC)n2nc(CCc3nc(-c4ccccc4)cn3C)nc12
InChIInChI=1S/C20H21N5O2/c1-24-13-15(14-7-5-4-6-8-14)21-18(24)11-10-17-22-20-16(26-2)9-12-19(27-3)25(20)23-17/h4-9,12-13H,10-11H2,1-3H3
InChIKeyVKWQZGRRUPRTDS-UHFFFAOYSA-N
XLogP2.93
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 66636303) is 5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(OC)n2nc(CCc3nc(-c4ccccc4)cn3C)nc12.
What is the InChIKey of 5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is VKWQZGRRUPRTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24-13-15(14-7-5-4-6-8-14)21-18(24)11-10-17-22-20-16(26-2)9-12-19(27-3)25(20)23-17/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 363.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 66636303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).