2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine

C43H36N10O — CID 67257400

IUPAC2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccn2cc(CC(O)c3nc(-c4ccccc4)cn3C)nc12.Cn1cc(-c2ccccc2)nc1C#Cc1nc2cccc(-c3ccncc3)n2n1
InChIInChI=1S/C23H16N6.C20H20N4O/c1-28-16-19(17-6-3-2-4-7-17)25-22(28)11-10-21-26-23-9-5-8-20(29(23)27-21)18-12-14-24-15-13-18;1-14-7-6-10-24-12-16(21-19(14)24)11-18(25)20-22-17(13-23(20)2)15-8-4-3-5-9-15/h2-9,12-16H,1H3;3-10,12-13,18,25H,11H2,1-2H3
InChIKeyFLIAMRAZPQWYJF-UHFFFAOYSA-N
MW708.83 g/mol
LogP6.91
Rot. Bonds6

About 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine

2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 67257400) has the molecular formula C43H36N10O and a molecular weight of 708.83 g/mol. Its IUPAC name is 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID67257400
Molecular FormulaC43H36N10O
Molecular Weight708.83 g/mol
Exact Mass708.31
IUPAC Name2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccn2cc(CC(O)c3nc(-c4ccccc4)cn3C)nc12.Cn1cc(-c2ccccc2)nc1C#Cc1nc2cccc(-c3ccncc3)n2n1
InChIInChI=1S/C23H16N6.C20H20N4O/c1-28-16-19(17-6-3-2-4-7-17)25-22(28)11-10-21-26-23-9-5-8-20(29(23)27-21)18-12-14-24-15-13-18;1-14-7-6-10-24-12-16(21-19(14)24)11-18(25)20-22-17(13-23(20)2)15-8-4-3-5-9-15/h2-9,12-16H,1H3;3-10,12-13,18,25H,11H2,1-2H3
InChIKeyFLIAMRAZPQWYJF-UHFFFAOYSA-N
XLogP6.91
TPSA116.25 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500708.83
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 67257400) is 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccn2cc(CC(O)c3nc(-c4ccccc4)cn3C)nc12.Cn1cc(-c2ccccc2)nc1C#Cc1nc2cccc(-c3ccncc3)n2n1.
What is the InChIKey of 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FLIAMRAZPQWYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6.C20H20N4O/c1-28-16-19(17-6-3-2-4-7-17)25-22(28)11-10-21-26-23-9-5-8-20(29(23)27-21)18-12-14-24-15-13-18;1-14-7-6-10-24-12-16(21-19(14)24)11-18(25)20-22-17(13-23(20)2)15-8-4-3-5-9-15/h2-9,12-16H,1H3;3-10,12-13,18,25H,11H2,1-2H3.
What are the key properties of 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine?
2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 708.83 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(1-methyl-4-phenylimidazol-2-yl)ethanol;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 67257400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).