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

C17H17N3O4 — CID 71797806

IUPACethyl 5-[(2,5-dimethylfuran-3-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)oc3C)cc12
InChIInChI=1S/C17H17N3O4/c1-4-23-17(22)14-9-18-20-6-5-12(8-15(14)20)19-16(21)13-7-10(2)24-11(13)3/h5-9H,4H2,1-3H3,(H,19,21)
InChIKeyHLKWLTIRONBPJW-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.97
Rot. Bonds4

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

ethyl 5-[(2,5-dimethylfuran-3-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 71797806) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 5-[(2,5-dimethylfuran-3-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2,5-dimethylfuran-3-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID71797806
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Nameethyl 5-[(2,5-dimethylfuran-3-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)oc3C)cc12
InChIInChI=1S/C17H17N3O4/c1-4-23-17(22)14-9-18-20-6-5-12(8-15(14)20)19-16(21)13-7-10(2)24-11(13)3/h5-9H,4H2,1-3H3,(H,19,21)
InChIKeyHLKWLTIRONBPJW-UHFFFAOYSA-N
XLogP2.97
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2,5-dimethylfuran-3-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2,5-dimethylfuran-3-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 71797806) is ethyl 5-[(2,5-dimethylfuran-3-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2,5-dimethylfuran-3-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2,5-dimethylfuran-3-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)c3cc(C)oc3C)cc12.
What is the InChIKey of ethyl 5-[(2,5-dimethylfuran-3-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is HLKWLTIRONBPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-4-23-17(22)14-9-18-20-6-5-12(8-15(14)20)19-16(21)13-7-10(2)24-11(13)3/h5-9H,4H2,1-3H3,(H,19,21).
What are the key properties of ethyl 5-[(2,5-dimethylfuran-3-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(2,5-dimethylfuran-3-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2,5-dimethylfuran-3-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 71797806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).