(1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate

C19H19N3O4 — CID 166277750

IUPAC(1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESO=C(OC1CC(=O)N(Cc2ccccc2)C1)c1cc2n(n1)CCCC2=O
InChIInChI=1S/C19H19N3O4/c23-17-7-4-8-22-16(17)10-15(20-22)19(25)26-14-9-18(24)21(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,10,14H,4,7-9,11-12H2
InChIKeyLQCQQMVXAAADOU-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.82
Rot. Bonds4

About (1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate

(1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 166277750) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name(1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID166277750
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESO=C(OC1CC(=O)N(Cc2ccccc2)C1)c1cc2n(n1)CCCC2=O
InChIInChI=1S/C19H19N3O4/c23-17-7-4-8-22-16(17)10-15(20-22)19(25)26-14-9-18(24)21(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,10,14H,4,7-9,11-12H2
InChIKeyLQCQQMVXAAADOU-UHFFFAOYSA-N
XLogP1.82
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxylic acid
CID 22605296
N-(2-aminoethyl)-N-benzyl-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a]azepine-2-carboxamide
CID 166261394
5-benzyl-2-(4-benzylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 46347961
(4aS,8aS)-2-benzyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-3-one
CID 10490446
5-benzyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42876383
5-benzyl-4-oxo-N-propyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50798056
5-benzyl-2-(4-benzylpiperidine-1-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077097
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 20964689
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 84601874
[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl 3-cyanobenzoate
CID 96519659

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of (1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate (CID 166277750) is (1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for (1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for (1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate is O=C(OC1CC(=O)N(Cc2ccccc2)C1)c1cc2n(n1)CCCC2=O.
What is the InChIKey of (1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is LQCQQMVXAAADOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-17-7-4-8-22-16(17)10-15(20-22)19(25)26-14-9-18(24)21(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,10,14H,4,7-9,11-12H2.
What are the key properties of (1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate?
(1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-oxopyrrolidin-3-yl) 4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 166277750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).