8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide

C59H45N17O2 — CID 87327269

IUPAC8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide
SMILESC#Cc1cccn2nc(C#Cc3nc(-c4ccccc4)cn3C)nc12.CC(=O)Nc1ccc(C)n2nc(C#Cc3nc(-c4ccccc4)cn3C)nc12.COc1nccn2nc(C#Cc3nc(-c4ccccc4)cn3C)nc12
InChIInChI=1S/C21H18N6O.C20H13N5.C18H14N6O/c1-14-9-10-17(22-15(2)28)21-24-19(25-27(14)21)11-12-20-23-18(13-26(20)3)16-7-5-4-6-8-16;1-3-15-10-7-13-25-20(15)22-18(23-25)11-12-19-21-17(14-24(19)2)16-8-5-4-6-9-16;1-23-12-14(13-6-4-3-5-7-13)20-16(23)9-8-15-21-17-18(25-2)19-10-11-24(17)22-15/h4-10,13H,1-3H3,(H,22,28);1,4-10,13-14H,2H3;3-7,10-12H,1-2H3
InChIKeyFWLNZCLIUAPATA-UHFFFAOYSA-N
MW1024.13 g/mol
LogP7.24
Rot. Bonds5

About 8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide

8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide (PubChem CID 87327269) has the molecular formula C59H45N17O2 and a molecular weight of 1024.13 g/mol. Its IUPAC name is 8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide.

Molecular Properties

Compound Name8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide
PubChem CID87327269
Molecular FormulaC59H45N17O2
Molecular Weight1024.13 g/mol
Exact Mass1023.39
IUPAC Name8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide
SMILESC#Cc1cccn2nc(C#Cc3nc(-c4ccccc4)cn3C)nc12.CC(=O)Nc1ccc(C)n2nc(C#Cc3nc(-c4ccccc4)cn3C)nc12.COc1nccn2nc(C#Cc3nc(-c4ccccc4)cn3C)nc12
InChIInChI=1S/C21H18N6O.C20H13N5.C18H14N6O/c1-14-9-10-17(22-15(2)28)21-24-19(25-27(14)21)11-12-20-23-18(13-26(20)3)16-7-5-4-6-8-16;1-3-15-10-7-13-25-20(15)22-18(23-25)11-12-19-21-17(14-24(19)2)16-8-5-4-6-9-16;1-23-12-14(13-6-4-3-5-7-13)20-16(23)9-8-15-21-17-18(25-2)19-10-11-24(17)22-15/h4-10,13H,1-3H3,(H,22,28);1,4-10,13-14H,2H3;3-7,10-12H,1-2H3
InChIKeyFWLNZCLIUAPATA-UHFFFAOYSA-N
XLogP7.24
TPSA195.25 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001024.13
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide?
The IUPAC name of 8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide (CID 87327269) is 8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide.
What is the SMILES notation for 8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide?
The canonical SMILES for 8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide is C#Cc1cccn2nc(C#Cc3nc(-c4ccccc4)cn3C)nc12.CC(=O)Nc1ccc(C)n2nc(C#Cc3nc(-c4ccccc4)cn3C)nc12.COc1nccn2nc(C#Cc3nc(-c4ccccc4)cn3C)nc12.
What is the InChIKey of 8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide?
The InChIKey is FWLNZCLIUAPATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O.C20H13N5.C18H14N6O/c1-14-9-10-17(22-15(2)28)21-24-19(25-27(14)21)11-12-20-23-18(13-26(20)3)16-7-5-4-6-8-16;1-3-15-10-7-13-25-20(15)22-18(23-25)11-12-19-21-17(14-24(19)2)16-8-5-4-6-9-16;1-23-12-14(13-6-4-3-5-7-13)20-16(23)9-8-15-21-17-18(25-2)19-10-11-24(17)22-15/h4-10,13H,1-3H3,(H,22,28);1,4-10,13-14H,2H3;3-7,10-12H,1-2H3.
What are the key properties of 8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide?
8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide has a molecular weight of 1024.13 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethynyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;8-methoxy-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyrazine;N-[5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]acetamide is sourced from PubChem (CID 87327269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).