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

C20H16N4O3S — CID 71797770

IUPACethyl 5-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc12
InChIInChI=1S/C20H16N4O3S/c1-2-27-20(26)15-11-21-24-9-8-14(10-17(15)24)22-18(25)16-12-28-19(23-16)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,22,25)
InChIKeyYHUHRVMMACTEIS-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.89
Rot. Bonds5

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

ethyl 5-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 71797770) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is ethyl 5-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID71797770
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Nameethyl 5-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc12
InChIInChI=1S/C20H16N4O3S/c1-2-27-20(26)15-11-21-24-9-8-14(10-17(15)24)22-18(25)16-12-28-19(23-16)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,22,25)
InChIKeyYHUHRVMMACTEIS-UHFFFAOYSA-N
XLogP3.89
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 71797770) is ethyl 5-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)c3csc(-c4ccccc4)n3)cc12.
What is the InChIKey of ethyl 5-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is YHUHRVMMACTEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c1-2-27-20(26)15-11-21-24-9-8-14(10-17(15)24)22-18(25)16-12-28-19(23-16)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,22,25).
What are the key properties of ethyl 5-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 392.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 71797770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).