2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

C18H22N6O — CID 56778826

IUPAC2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESCc1cccn2cc(CC(=O)N3CCn4c(nnc4C(C)C)C3)nc12
InChIInChI=1S/C18H22N6O/c1-12(2)17-21-20-15-11-22(7-8-24(15)17)16(25)9-14-10-23-6-4-5-13(3)18(23)19-14/h4-6,10,12H,7-9,11H2,1-3H3
InChIKeyQRSGADHPIUBIDI-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.94
Rot. Bonds3

About 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (PubChem CID 56778826) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.

Molecular Properties

Compound Name2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
PubChem CID56778826
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
SMILESCc1cccn2cc(CC(=O)N3CCn4c(nnc4C(C)C)C3)nc12
InChIInChI=1S/C18H22N6O/c1-12(2)17-21-20-15-11-22(7-8-24(15)17)16(25)9-14-10-23-6-4-5-13(3)18(23)19-14/h4-6,10,12H,7-9,11H2,1-3H3
InChIKeyQRSGADHPIUBIDI-UHFFFAOYSA-N
XLogP1.94
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (CID 56778826) is 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.
What is the SMILES notation for 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The canonical SMILES for 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is Cc1cccn2cc(CC(=O)N3CCn4c(nnc4C(C)C)C3)nc12.
What is the InChIKey of 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
The InChIKey is QRSGADHPIUBIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12(2)17-21-20-15-11-22(7-8-24(15)17)16(25)9-14-10-23-6-4-5-13(3)18(23)19-14/h4-6,10,12H,7-9,11H2,1-3H3.
What are the key properties of 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?
2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone has a molecular weight of 338.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 56778826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).