2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate

C71H68Cl4F3N9O9 — CID 160961564

About 2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate

2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate (PubChem CID 160961564) has the molecular formula C71H68Cl4F3N9O9 and a molecular weight of 1390.18 g/mol. Its IUPAC name is 2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: 2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate
• PubChem CID: 160961564
• Molecular Formula: C71H68Cl4F3N9O9
• Molecular Weight: 1390.18 g/mol
• Exact Mass: 1387.38
• IUPAC Name: 2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate
• SMILES: COC(=O)C1CCCN1.COC(=O)C1CCN(c2ncc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)C1.COc1ccc(Cc2cnc(Cl)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2cnc(N3CCC(C(=O)O)C3)nc2)c(F)c1-c1cccc(Cl)c1
• InChI: InChI=1S/C24H23ClFN3O3.C23H21ClFN3O3.C18H13Cl2FN2O.C6H11NO2/c1-31-20-7-6-17(22(26)21(20)16-4-3-5-19(25)11-16)10-15-12-27-24(28-13-15)29-9-8-18(14-29)23(30)32-2;1-31-19-6-5-16(21(25)20(19)15-3-2-4-18(24)10-15)9-14-11-26-23(27-12-14)28-8-7-17(13-28)22(29)30;1-24-15-6-5-13(7-11-9-22-18(20)23-10-11)17(21)16(15)12-3-2-4-14(19)8-12;1-9-6(8)5-3-2-4-7-5/h3-7,11-13,18H,8-10,14H2,1-2H3;2-6,10-12,17H,7-9,13H2,1H3,(H,29,30);2-6,8-10H,7H2,1H3;5,7H,2-4H2,1H3
• InChIKey: SXBPOPBDCWCIBQ-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 213.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1390.18
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate?

The IUPAC name of 2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate (CID 160961564) is 2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate.

What is the SMILES notation for 2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate?

The canonical SMILES for 2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate is COC(=O)C1CCCN1.COC(=O)C1CCN(c2ncc(Cc3ccc(OC)c(-c4cccc(Cl)c4)c3F)cn2)C1.COc1ccc(Cc2cnc(Cl)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2cnc(N3CCC(C(=O)O)C3)nc2)c(F)c1-c1cccc(Cl)c1.

What is the InChIKey of 2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate?

The InChIKey is SXBPOPBDCWCIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O3.C23H21ClFN3O3.C18H13Cl2FN2O.C6H11NO2/c1-31-20-7-6-17(22(26)21(20)16-4-3-5-19(25)11-16)10-15-12-27-24(28-13-15)29-9-8-18(14-29)23(30)32-2;1-31-19-6-5-16(21(25)20(19)15-3-2-4-18(24)10-15)9-14-11-26-23(27-12-14)28-8-7-17(13-28)22(29)30;1-24-15-6-5-13(7-11-9-22-18(20)23-10-11)17(21)16(15)12-3-2-4-14(19)8-12;1-9-6(8)5-3-2-4-7-5/h3-7,11-13,18H,8-10,14H2,1-2H3;2-6,10-12,17H,7-9,13H2,1H3,(H,29,30);2-6,8-10H,7H2,1H3;5,7H,2-4H2,1H3.

What are the key properties of 2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate?

2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate has a molecular weight of 1390.18 g/mol, XLogP of 14.08, 17 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylic acid;methyl 1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]pyrrolidine-3-carboxylate;methyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 160961564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).