ethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate

C19H16N6O3 — CID 71797769

IUPACethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3cnn(-c4ccccc4)n3)cc12
InChIInChI=1S/C19H16N6O3/c1-2-28-19(27)15-11-20-24-9-8-13(10-17(15)24)22-18(26)16-12-21-25(23-16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,22,26)
InChIKeyMBMDQJQENQCDER-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.34
Rot. Bonds5

About ethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 71797769) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is ethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID71797769
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Nameethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3cnn(-c4ccccc4)n3)cc12
InChIInChI=1S/C19H16N6O3/c1-2-28-19(27)15-11-20-24-9-8-13(10-17(15)24)22-18(26)16-12-21-25(23-16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,22,26)
InChIKeyMBMDQJQENQCDER-UHFFFAOYSA-N
XLogP2.34
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 71797769) is ethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)c3cnn(-c4ccccc4)n3)cc12.
What is the InChIKey of ethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is MBMDQJQENQCDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-2-28-19(27)15-11-20-24-9-8-13(10-17(15)24)22-18(26)16-12-21-25(23-16)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,22,26).
What are the key properties of ethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 376.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-phenyltriazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 71797769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).