2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C22H24N6O2 — CID 71525560

IUPAC2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1cc(-c2ccccc2)nc1CCn1nc2cccc(N3CCOCC3)n2c1=O
InChIInChI=1S/C22H24N6O2/c1-25-16-18(17-6-3-2-4-7-17)23-19(25)10-11-27-22(29)28-20(24-27)8-5-9-21(28)26-12-14-30-15-13-26/h2-9,16H,10-15H2,1H3
InChIKeyMVKIVEUODYTBJU-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.98
Rot. Bonds5

About 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 71525560) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID71525560
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1cc(-c2ccccc2)nc1CCn1nc2cccc(N3CCOCC3)n2c1=O
InChIInChI=1S/C22H24N6O2/c1-25-16-18(17-6-3-2-4-7-17)23-19(25)10-11-27-22(29)28-20(24-27)8-5-9-21(28)26-12-14-30-15-13-26/h2-9,16H,10-15H2,1H3
InChIKeyMVKIVEUODYTBJU-UHFFFAOYSA-N
XLogP1.98
TPSA69.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 71525560) is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cn1cc(-c2ccccc2)nc1CCn1nc2cccc(N3CCOCC3)n2c1=O.
What is the InChIKey of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is MVKIVEUODYTBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-25-16-18(17-6-3-2-4-7-17)23-19(25)10-11-27-22(29)28-20(24-27)8-5-9-21(28)26-12-14-30-15-13-26/h2-9,16H,10-15H2,1H3.
What are the key properties of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 404.47 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-5-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 71525560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).