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

C21H19N5O3 — CID 71797779

IUPACethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3cc(-c4ccccc4)nn3C)cc12
InChIInChI=1S/C21H19N5O3/c1-3-29-21(28)16-13-22-26-10-9-15(11-18(16)26)23-20(27)19-12-17(24-25(19)2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,23,27)
InChIKeyIZQJATZBSIGVOI-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.16
Rot. Bonds5

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

ethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 71797779) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is ethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID71797779
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Nameethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3cc(-c4ccccc4)nn3C)cc12
InChIInChI=1S/C21H19N5O3/c1-3-29-21(28)16-13-22-26-10-9-15(11-18(16)26)23-20(27)19-12-17(24-25(19)2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,23,27)
InChIKeyIZQJATZBSIGVOI-UHFFFAOYSA-N
XLogP3.16
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 71797779) is ethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)c3cc(-c4ccccc4)nn3C)cc12.
What is the InChIKey of ethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is IZQJATZBSIGVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-3-29-21(28)16-13-22-26-10-9-15(11-18(16)26)23-20(27)19-12-17(24-25(19)2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,23,27).
What are the key properties of ethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 389.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 71797779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).