ethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate

C14H14N6O3 — CID 71797820

IUPACethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3cn(C)nn3)cc12
InChIInChI=1S/C14H14N6O3/c1-3-23-14(22)10-7-15-20-5-4-9(6-12(10)20)16-13(21)11-8-19(2)18-17-11/h4-8H,3H2,1-2H3,(H,16,21)
InChIKeyRQMMGWQKIUODCW-UHFFFAOYSA-N
MW314.31 g/mol
LogP0.89
Rot. Bonds4

About ethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 71797820) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is ethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID71797820
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC Nameethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3cn(C)nn3)cc12
InChIInChI=1S/C14H14N6O3/c1-3-23-14(22)10-7-15-20-5-4-9(6-12(10)20)16-13(21)11-8-19(2)18-17-11/h4-8H,3H2,1-2H3,(H,16,21)
InChIKeyRQMMGWQKIUODCW-UHFFFAOYSA-N
XLogP0.89
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 71797820) is ethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)c3cn(C)nn3)cc12.
What is the InChIKey of ethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is RQMMGWQKIUODCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-3-23-14(22)10-7-15-20-5-4-9(6-12(10)20)16-13(21)11-8-19(2)18-17-11/h4-8H,3H2,1-2H3,(H,16,21).
What are the key properties of ethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 314.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1-methyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 71797820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).