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

C21H19ClN4O4 — CID 90556634

IUPACethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)cc12
InChIInChI=1S/C21H19ClN4O4/c1-2-30-21(29)17-11-23-26-8-7-15(10-18(17)26)24-20(28)13-9-19(27)25(12-13)16-5-3-14(22)4-6-16/h3-8,10-11,13H,2,9,12H2,1H3,(H,24,28)
InChIKeyBHIJGHJNEQZCSU-UHFFFAOYSA-N
MW426.86 g/mol
LogP3.16
Rot. Bonds5

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

ethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 90556634) has the molecular formula C21H19ClN4O4 and a molecular weight of 426.86 g/mol. Its IUPAC name is ethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID90556634
Molecular FormulaC21H19ClN4O4
Molecular Weight426.86 g/mol
Exact Mass426.11
IUPAC Nameethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)cc12
InChIInChI=1S/C21H19ClN4O4/c1-2-30-21(29)17-11-23-26-8-7-15(10-18(17)26)24-20(28)13-9-19(27)25(12-13)16-5-3-14(22)4-6-16/h3-8,10-11,13H,2,9,12H2,1H3,(H,24,28)
InChIKeyBHIJGHJNEQZCSU-UHFFFAOYSA-N
XLogP3.16
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-(cyclohex-3-ene-1-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797822
ethyl 5-[[1-(4-butylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 108761566
diethyl 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108800125
ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797808
ethyl 3-[4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]prop-2-enoate
CID 55871580
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
ethyl 5-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 108761570
ethyl 4-[4-[(3-cyanophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113190636
N-(3,5-dichlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081984
(3R)-1-(4-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 7438824
ethyl 4-[[1-(4-acetylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113188983
ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate
CID 21230126

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 90556634) is ethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)C3CC(=O)N(c4ccc(Cl)cc4)C3)cc12.
What is the InChIKey of ethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is BHIJGHJNEQZCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4/c1-2-30-21(29)17-11-23-26-8-7-15(10-18(17)26)24-20(28)13-9-19(27)25(12-13)16-5-3-14(22)4-6-16/h3-8,10-11,13H,2,9,12H2,1H3,(H,24,28).
What are the key properties of ethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 426.86 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 90556634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).