ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate

C27H25N5O4 — CID 108768806

IUPACethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CC(C(=O)Nc3cc(C)nn3-c3ccc4ccccc4n3)CC2=O)cc1
InChIInChI=1S/C27H25N5O4/c1-3-36-27(35)19-8-11-21(12-9-19)31-16-20(15-25(31)33)26(34)29-24-14-17(2)30-32(24)23-13-10-18-6-4-5-7-22(18)28-23/h4-14,20H,3,15-16H2,1-2H3,(H,29,34)
InChIKeyNUAVYGFYDFMFHE-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.90
Rot. Bonds6

About ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate

ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate (PubChem CID 108768806) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
PubChem CID108768806
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC Nameethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CC(C(=O)Nc3cc(C)nn3-c3ccc4ccccc4n3)CC2=O)cc1
InChIInChI=1S/C27H25N5O4/c1-3-36-27(35)19-8-11-21(12-9-19)31-16-20(15-25(31)33)26(34)29-24-14-17(2)30-32(24)23-13-10-18-6-4-5-7-22(18)28-23/h4-14,20H,3,15-16H2,1-2H3,(H,29,34)
InChIKeyNUAVYGFYDFMFHE-UHFFFAOYSA-N
XLogP3.90
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate with MolForge

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 108768804
ethyl 4-[[1-(4-acetylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113188983
ethyl 4-[4-[(3-cyanophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113190636
ethyl 4-[[1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 17321875
ethyl 4-[2-oxo-4-[(2-oxochromen-6-yl)carbamoyl]pyrrolidin-1-yl]benzoate
CID 42651426
ethyl 4-[4-[(4-cyanophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113190637
ethyl 4-[[1-(4-cyanophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192053
(3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7232453
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate
CID 108739197
ethyl 2-[[1-(4-acetylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113188992
ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108769140
(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 1088301

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The IUPAC name of ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate (CID 108768806) is ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The canonical SMILES for ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate is CCOC(=O)c1ccc(N2CC(C(=O)Nc3cc(C)nn3-c3ccc4ccccc4n3)CC2=O)cc1.
What is the InChIKey of ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The InChIKey is NUAVYGFYDFMFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-3-36-27(35)19-8-11-21(12-9-19)31-16-20(15-25(31)33)26(34)29-24-14-17(2)30-32(24)23-13-10-18-6-4-5-7-22(18)28-23/h4-14,20H,3,15-16H2,1-2H3,(H,29,34).
What are the key properties of ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate has a molecular weight of 483.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 108768806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).