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

C21H19N5O3 — CID 71797778

IUPACethyl 5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3cnn(-c4ccccc4)c3C)cc12
InChIInChI=1S/C21H19N5O3/c1-3-29-21(28)18-13-22-25-10-9-15(11-19(18)25)24-20(27)17-12-23-26(14(17)2)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,24,27)
InChIKeyBRLUIUGEOUYWIJ-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.26
Rot. Bonds5

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

ethyl 5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 71797778) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is ethyl 5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID71797778
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Nameethyl 5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)c3cnn(-c4ccccc4)c3C)cc12
InChIInChI=1S/C21H19N5O3/c1-3-29-21(28)18-13-22-25-10-9-15(11-19(18)25)24-20(27)17-12-23-26(14(17)2)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,24,27)
InChIKeyBRLUIUGEOUYWIJ-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 71797778) is ethyl 5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)c3cnn(-c4ccccc4)c3C)cc12.
What is the InChIKey of ethyl 5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is BRLUIUGEOUYWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-3-29-21(28)18-13-22-25-10-9-15(11-19(18)25)24-20(27)17-12-23-26(14(17)2)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,24,27).
What are the key properties of ethyl 5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 389.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 71797778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).