1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C18H17N5O — CID 173113675

IUPAC1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2ccc(-c3cnc4nccn4n3)cc2)CC1
InChIInChI=1S/C18H17N5O/c1-13(24)22-9-6-15(7-10-22)14-2-4-16(5-3-14)17-12-20-18-19-8-11-23(18)21-17/h2-6,8,11-12H,7,9-10H2,1H3
InChIKeyJIQJKHJEWNSKMU-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.43
Rot. Bonds2

About 1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 173113675) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID173113675
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2ccc(-c3cnc4nccn4n3)cc2)CC1
InChIInChI=1S/C18H17N5O/c1-13(24)22-9-6-15(7-10-22)14-2-4-16(5-3-14)17-12-20-18-19-8-11-23(18)21-17/h2-6,8,11-12H,7,9-10H2,1H3
InChIKeyJIQJKHJEWNSKMU-UHFFFAOYSA-N
XLogP2.43
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-nitroso-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 123656548
1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154320676
1-[4-[1-tri(propan-2-yl)silylindol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 21462981
1-[4-(2-fluoro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 59326965
1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 161113880
1-[4-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 135249544
1-[4-(1H-pyrrolo[2,3-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 141396571
1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone
CID 56813543
1-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 165380250
4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175791904
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
1-[4-(2-tert-butyl-5-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 158681077

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 173113675) is 1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2ccc(-c3cnc4nccn4n3)cc2)CC1.
What is the InChIKey of 1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is JIQJKHJEWNSKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13(24)22-9-6-15(7-10-22)14-2-4-16(5-3-14)17-12-20-18-19-8-11-23(18)21-17/h2-6,8,11-12H,7,9-10H2,1H3.
What are the key properties of 1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 319.37 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-imidazo[1,2-b][1,2,4]triazin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 173113675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).