4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one

C18H24N6O — CID 50978136

IUPAC4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCNCC2)nn(Cc2cn3cccc(C)c3n2)c1=O
InChIInChI=1S/C18H24N6O/c1-3-23-17(14-6-8-19-9-7-14)21-24(18(23)25)12-15-11-22-10-4-5-13(2)16(22)20-15/h4-5,10-11,14,19H,3,6-9,12H2,1-2H3
InChIKeyKJXGNZWXKQKCAT-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.54
Rot. Bonds4

About 4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one

4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one (PubChem CID 50978136) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one
PubChem CID50978136
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCNCC2)nn(Cc2cn3cccc(C)c3n2)c1=O
InChIInChI=1S/C18H24N6O/c1-3-23-17(14-6-8-19-9-7-14)21-24(18(23)25)12-15-11-22-10-4-5-13(2)16(22)20-15/h4-5,10-11,14,19H,3,6-9,12H2,1-2H3
InChIKeyKJXGNZWXKQKCAT-UHFFFAOYSA-N
XLogP1.54
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one (CID 50978136) is 4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one is CCn1c(C2CCNCC2)nn(Cc2cn3cccc(C)c3n2)c1=O.
What is the InChIKey of 4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one?
The InChIKey is KJXGNZWXKQKCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-3-23-17(14-6-8-19-9-7-14)21-24(18(23)25)12-15-11-22-10-4-5-13(2)16(22)20-15/h4-5,10-11,14,19H,3,6-9,12H2,1-2H3.
What are the key properties of 4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one?
4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one has a molecular weight of 340.43 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 50978136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).