(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid

C46H36Cl3FN4O6 — CID 159588373

IUPAC(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](c2ccccc2Cl)N1C(=O)c1ccc(-c2ccccc2Cl)nc1.O=C(O)[C@@H]1CC[C@H](c2ccccc2Cl)N1C(=O)c1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C23H18Cl2N2O3.C23H18ClFN2O3/c24-17-7-3-1-5-15(17)19-10-9-14(13-26-19)22(28)27-20(11-12-21(27)23(29)30)16-6-2-4-8-18(16)25;24-17-7-3-1-5-15(17)20-11-12-21(23(29)30)27(20)22(28)14-9-10-19(26-13-14)16-6-2-4-8-18(16)25/h2*1-10,13,20-21H,11-12H2,(H,29,30)/t2*20-,21+/m11/s1
InChIKeyMJXPRAOCBAFZDJ-KVFZLMDDSA-N
MW866.17 g/mol
LogP10.46
Rot. Bonds8

About (2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid

(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 159588373) has the molecular formula C46H36Cl3FN4O6 and a molecular weight of 866.17 g/mol. Its IUPAC name is (2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID159588373
Molecular FormulaC46H36Cl3FN4O6
Molecular Weight866.17 g/mol
Exact Mass864.17
IUPAC Name(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](c2ccccc2Cl)N1C(=O)c1ccc(-c2ccccc2Cl)nc1.O=C(O)[C@@H]1CC[C@H](c2ccccc2Cl)N1C(=O)c1ccc(-c2ccccc2F)nc1
InChIInChI=1S/C23H18Cl2N2O3.C23H18ClFN2O3/c24-17-7-3-1-5-15(17)19-10-9-14(13-26-19)22(28)27-20(11-12-21(27)23(29)30)16-6-2-4-8-18(16)25;24-17-7-3-1-5-15(17)20-11-12-21(23(29)30)27(20)22(28)14-9-10-19(26-13-14)16-6-2-4-8-18(16)25/h2*1-10,13,20-21H,11-12H2,(H,29,30)/t2*20-,21+/m11/s1
InChIKeyMJXPRAOCBAFZDJ-KVFZLMDDSA-N
XLogP10.46
TPSA141.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.17
LogP ≤ 510.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 67257211
(2S,5R)-5-(2-chlorophenyl)-1-[6-(4-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 67257039
(2S,5R)-5-(2-chlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 162396163
5-(2-chlorophenyl)-1-(2-fluoro-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
CID 141379021
(2S,5R)-5-(2-chlorophenyl)-1-(4-pyrimidin-5-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 53258221
(2S,5R)-5-(2-chlorophenyl)-1-[4-(6-methyl-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 53258339
(2S,5R)-5-(2-chlorophenyl)-1-[4-(2-phenylmethoxyphenyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 71225524
(2S,5R)-5-(2-chlorophenyl)-1-[4-(2,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 71225806
(2S,5R)-5-(2-chlorophenyl)-1-[4-[2-(2-methylpropoxy)phenyl]benzoyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[4-(2-propan-2-yloxyphenyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 160771545
(2S,5R)-5-(2-chlorophenyl)-1-(4-morpholin-4-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 67258496
(2S,5R)-5-(2-chlorophenyl)-1-[4-(4,6-dimethoxy-3-pyridinyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 67258080
5-(2-chlorophenyl)-1-(2-hydroxy-6-phenylbenzoyl)pyrrolidine-2-carboxylic acid
CID 141379002

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 159588373) is (2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC[C@H](c2ccccc2Cl)N1C(=O)c1ccc(-c2ccccc2Cl)nc1.O=C(O)[C@@H]1CC[C@H](c2ccccc2Cl)N1C(=O)c1ccc(-c2ccccc2F)nc1.
What is the InChIKey of (2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MJXPRAOCBAFZDJ-KVFZLMDDSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3.C23H18ClFN2O3/c24-17-7-3-1-5-15(17)19-10-9-14(13-26-19)22(28)27-20(11-12-21(27)23(29)30)16-6-2-4-8-18(16)25;24-17-7-3-1-5-15(17)20-11-12-21(23(29)30)27(20)22(28)14-9-10-19(26-13-14)16-6-2-4-8-18(16)25/h2*1-10,13,20-21H,11-12H2,(H,29,30)/t2*20-,21+/m11/s1.
What are the key properties of (2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid?
(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 866.17 g/mol, XLogP of 10.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(2-chlorophenyl)-1-[6-(2-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid;(2S,5R)-5-(2-chlorophenyl)-1-[6-(2-fluorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 159588373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).