(2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione

C28H25ClN2O4 — CID 70996774

IUPAC(2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione
SMILESO=C([C@H](O)[C@@H](O)C(=O)n1ccc2cc(-c3ccccc3)ccc21)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C28H25ClN2O4/c29-22-9-4-8-20(17-22)23-10-5-14-30(23)27(34)25(32)26(33)28(35)31-15-13-21-16-19(11-12-24(21)31)18-6-2-1-3-7-18/h1-4,6-9,11-13,15-17,23,25-26,32-33H,5,10,14H2/t23?,25-,26-/m1/s1
InChIKeyZBPIQWXMWOPHSY-NYJWAPBASA-N
MW488.97 g/mol
LogP4.69
Rot. Bonds5

About (2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione

(2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione (PubChem CID 70996774) has the molecular formula C28H25ClN2O4 and a molecular weight of 488.97 g/mol. Its IUPAC name is (2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name(2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione
PubChem CID70996774
Molecular FormulaC28H25ClN2O4
Molecular Weight488.97 g/mol
Exact Mass488.15
IUPAC Name(2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione
SMILESO=C([C@H](O)[C@@H](O)C(=O)n1ccc2cc(-c3ccccc3)ccc21)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C28H25ClN2O4/c29-22-9-4-8-20(17-22)23-10-5-14-30(23)27(34)25(32)26(33)28(35)31-15-13-21-16-19(11-12-24(21)31)18-6-2-1-3-7-18/h1-4,6-9,11-13,15-17,23,25-26,32-33H,5,10,14H2/t23?,25-,26-/m1/s1
InChIKeyZBPIQWXMWOPHSY-NYJWAPBASA-N
XLogP4.69
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.97
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione 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

rac-(2R,3R)-4-(2-(3-chlorophenyl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-((6-phenylpyridin-3-yl)methyl)butanamide
CID 54580566
rac-(2R,3R)-4-(2-(3-chlorophenyl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-((5-phenylpyridin-2-yl)methyl)butanamide
CID 54581562
1-[3-(3,6-dichloro-9H-carbazol-9-yl)-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 2852238
3-[2-[(2S,3R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]indole-1-carboxamide
CID 88921998
1'-[[5-Chloro-1-(4-fluorobutyl)indol-2-yl]methyl]-1-(2,3-dihydroxypropanoyl)spiro[piperidine-4,3'-pyrrolo[2,3-c]pyridine]-2'-one
CID 90131625
N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-1-[1-(2-hydroxyethyl)indol-5-yl]-2-oxopyrrolidine-3-carboxamide
CID 117832921
(2R,3R)-2,3-dihydroxy-1-[5-(2-phenylethynyl)indol-1-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
CID 17757635
(2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-[5-(2-phenylethynyl)indol-1-yl]butane-1,4-dione
CID 17757661
(2R,3R)-1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-[5-(2-phenylethynyl)indol-1-yl]butane-1,4-dione
CID 17757662
(2R,3R)-2,3-dihydroxy-N,N-dimethyl-4-oxo-4-[5-(2-phenylethynyl)indol-1-yl]butanamide
CID 57728436
(2R,3R)-2,3-dihydroxy-N-methyl-4-oxo-4-[5-(2-phenylethynyl)indol-1-yl]butanamide
CID 57728454
(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(4-indazol-2-ylphenyl)methyl]-4-oxobutanamide
CID 57984311

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione?
The IUPAC name of (2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione (CID 70996774) is (2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione.
What is the SMILES notation for (2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione?
The canonical SMILES for (2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione is O=C([C@H](O)[C@@H](O)C(=O)n1ccc2cc(-c3ccccc3)ccc21)N1CCCC1c1cccc(Cl)c1.
What is the InChIKey of (2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione?
The InChIKey is ZBPIQWXMWOPHSY-NYJWAPBASA-N. The full InChI is InChI=1S/C28H25ClN2O4/c29-22-9-4-8-20(17-22)23-10-5-14-30(23)27(34)25(32)26(33)28(35)31-15-13-21-16-19(11-12-24(21)31)18-6-2-1-3-7-18/h1-4,6-9,11-13,15-17,23,25-26,32-33H,5,10,14H2/t23?,25-,26-/m1/s1.
What are the key properties of (2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione?
(2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione has a molecular weight of 488.97 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-(5-phenylindol-1-yl)butane-1,4-dione is sourced from PubChem (CID 70996774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).