4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine

C22H18N6OS — CID 58404759

IUPAC4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3cnc(-c4ccsc4)n3C)c12
InChIInChI=1S/C22H18N6OS/c1-26-12-18(10-24-26)17-8-20(29-3)21-15(9-25-28(21)13-17)4-5-19-11-23-22(27(19)2)16-6-7-30-14-16/h6-14H,1-3H3
InChIKeyRROYRMXPXHIPFA-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.61
Rot. Bonds3

About 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine

4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine (PubChem CID 58404759) has the molecular formula C22H18N6OS and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine
PubChem CID58404759
Molecular FormulaC22H18N6OS
Molecular Weight414.49 g/mol
Exact Mass414.13
IUPAC Name4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3cnc(-c4ccsc4)n3C)c12
InChIInChI=1S/C22H18N6OS/c1-26-12-18(10-24-26)17-8-20(29-3)21-15(9-25-28(21)13-17)4-5-19-11-23-22(27(19)2)16-6-7-30-14-16/h6-14H,1-3H3
InChIKeyRROYRMXPXHIPFA-UHFFFAOYSA-N
XLogP3.61
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine (CID 58404759) is 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine is COc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3cnc(-c4ccsc4)n3C)c12.
What is the InChIKey of 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine?
The InChIKey is RROYRMXPXHIPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6OS/c1-26-12-18(10-24-26)17-8-20(29-3)21-15(9-25-28(21)13-17)4-5-19-11-23-22(27(19)2)16-6-7-30-14-16/h6-14H,1-3H3.
What are the key properties of 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine?
4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine has a molecular weight of 414.49 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(1-methylpyrazol-4-yl)-3-[2-(3-methyl-2-thiophen-3-ylimidazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 58404759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).