(3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid

C20H16ClF4N4O4- — CID 159049751

IUPAC(3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(O)CCN(c2cnc3[nH]c(C(F)(F)F)cc3c2)C1=O.[NH-]Cc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H10F3N3O4.C7H6ClFN/c14-13(15,16)8-4-6-3-7(5-17-9(6)18-8)19-2-1-12(23,10(19)20)11(21)22;8-6-1-5(4-10)2-7(9)3-6/h3-5,23H,1-2H2,(H,17,18)(H,21,22);1-3,10H,4H2/q;-1
InChIKeyJXCQMFOQRAKJSM-UHFFFAOYSA-N
MW487.82 g/mol
LogP4.17
Rot. Bonds3

About (3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid

(3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid (PubChem CID 159049751) has the molecular formula C20H16ClF4N4O4- and a molecular weight of 487.82 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid
PubChem CID159049751
Molecular FormulaC20H16ClF4N4O4-
Molecular Weight487.82 g/mol
Exact Mass487.08
IUPAC Name(3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(O)CCN(c2cnc3[nH]c(C(F)(F)F)cc3c2)C1=O.[NH-]Cc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H10F3N3O4.C7H6ClFN/c14-13(15,16)8-4-6-3-7(5-17-9(6)18-8)19-2-1-12(23,10(19)20)11(21)22;8-6-1-5(4-10)2-7(9)3-6/h3-5,23H,1-2H2,(H,17,18)(H,21,22);1-3,10H,4H2/q;-1
InChIKeyJXCQMFOQRAKJSM-UHFFFAOYSA-N
XLogP4.17
TPSA130.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.82
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-1-(1H-indol-6-yl)-2-oxopyrrolidine-3-carboxamide
CID 71815329
4-[5-[3-[3-(3-chloro-5-fluorophenyl)propanoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-3-methyl-2-pyridinyl]morpholin-3-one
CID 158648037
[(3S)-1-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-hydroxy-2-oxopyrrolidin-3-yl] N-[(3-chloro-5-fluorophenyl)methyl]carbamate
CID 121347040
1-[3-[(3-chloro-5-fluorophenyl)methylcarbamoyl]-4-(trifluoromethyl)phenyl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 141376897
(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 118884373
N-[(3-chloro-5-fluorophenyl)methyl]-1-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 130304871
6-[(3S)-3-[(3-chloro-5-fluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-1H-indole-2-carboxamide
CID 71815829
N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide
CID 71745053
(3R)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(3,3-difluoro-2-oxo-1H-indol-5-yl)-3-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 71815256
3-[5-[3-[(3-chloro-5-fluorophenyl)methylcarbamoyl]-3-hydroxy-2-oxopyrrolidin-1-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 149364242
(3R)-3-[3-(3-chloro-5-fluorophenyl)propanoyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidin-2-one
CID 158673091
(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-(2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)pyrrolidine-3-carboxamide
CID 170650182

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid (CID 159049751) is (3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid is O=C(O)C1(O)CCN(c2cnc3[nH]c(C(F)(F)F)cc3c2)C1=O.[NH-]Cc1cc(F)cc(Cl)c1.
What is the InChIKey of (3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is JXCQMFOQRAKJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O4.C7H6ClFN/c14-13(15,16)8-4-6-3-7(5-17-9(6)18-8)19-2-1-12(23,10(19)20)11(21)22;8-6-1-5(4-10)2-7(9)3-6/h3-5,23H,1-2H2,(H,17,18)(H,21,22);1-3,10H,4H2/q;-1.
What are the key properties of (3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid?
(3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 487.82 g/mol, XLogP of 4.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluorophenyl)methylazanide;3-hydroxy-2-oxo-1-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 159049751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).