(4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

C108H94Cl7N27O14 — CID 159013401

About (4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

(4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (PubChem CID 159013401) has the molecular formula C108H94Cl7N27O14 and a molecular weight of 2242.29 g/mol. Its IUPAC name is (4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.

Molecular Properties

• Compound Name: (4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
• PubChem CID: 159013401
• Molecular Formula: C108H94Cl7N27O14
• Molecular Weight: 2242.29 g/mol
• Exact Mass: 2237.53
• IUPAC Name: (4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
• SMILES: COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(C)c4c(c2)OCO4)C3=O)c(OC)n1.COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cc4[nH]ncc24)C3=O)c(OC)n1.COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn4ccnc24)C3=O)c(OC)n1.COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn4cnnc24)C3=O)c(OC)n1
• InChI: InChI=1S/C28H26ClN5O5.2C27H23Cl2N7O3.C26H22Cl2N8O3/c1-14(2)33-23-21(31-25(33)19-12-30-28(37-5)32-26(19)36-4)27(35)34(22(23)16-6-8-17(29)9-7-16)18-10-15(3)24-20(11-18)38-13-39-24;1-13(2)35-23-21(32-24(35)18-11-30-27(39-4)33-25(18)38-3)26(37)36(22(23)14-5-7-15(28)8-6-14)20-10-16(29)9-19-17(20)12-31-34-19;1-14(2)35-22-20(32-23(35)18-12-31-27(39-4)33-25(18)38-3)26(37)36(21(22)15-5-7-16(28)8-6-15)19-11-17(29)13-34-10-9-30-24(19)34;1-13(2)35-21-19(31-22(35)17-10-29-26(39-4)32-24(17)38-3)25(37)36(20(21)14-5-7-15(27)8-6-14)18-9-16(28)11-34-12-30-33-23(18)34/h6-12,14,22H,13H2,1-5H3;5-13,22H,1-4H3,(H,31,34);5-14,21H,1-4H3;5-13,20H,1-4H3/t2*22-;21-;20-/m0000/s1
• InChIKey: JSTYCXHPTRLQAC-UCUNGKPISA-N
• XLogP: 21.93
• TPSA: 424.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2242.29
LogP ≤ 5	21.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?

The IUPAC name of (4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (CID 159013401) is (4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.

What is the SMILES notation for (4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?

The canonical SMILES for (4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(C)c4c(c2)OCO4)C3=O)c(OC)n1.COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cc4[nH]ncc24)C3=O)c(OC)n1.COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn4ccnc24)C3=O)c(OC)n1.COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn4cnnc24)C3=O)c(OC)n1.

What is the InChIKey of (4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?

The InChIKey is JSTYCXHPTRLQAC-UCUNGKPISA-N. The full InChI is InChI=1S/C28H26ClN5O5.2C27H23Cl2N7O3.C26H22Cl2N8O3/c1-14(2)33-23-21(31-25(33)19-12-30-28(37-5)32-26(19)36-4)27(35)34(22(23)16-6-8-17(29)9-7-16)18-10-15(3)24-20(11-18)38-13-39-24;1-13(2)35-23-21(32-24(35)18-11-30-27(39-4)33-25(18)38-3)26(37)36(22(23)14-5-7-15(28)8-6-14)20-10-16(29)9-19-17(20)12-31-34-19;1-14(2)35-22-20(32-23(35)18-12-31-27(39-4)33-25(18)38-3)26(37)36(21(22)15-5-7-16(28)8-6-15)19-11-17(29)13-34-10-9-30-24(19)34;1-13(2)35-21-19(31-22(35)17-10-29-26(39-4)32-24(17)38-3)25(37)36(20(21)14-5-7-15(27)8-6-14)18-9-16(28)11-34-12-30-33-23(18)34/h6-12,14,22H,13H2,1-5H3;5-13,22H,1-4H3,(H,31,34);5-14,21H,1-4H3;5-13,20H,1-4H3/t2*22-;21-;20-/m0000/s1.

What are the key properties of (4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?

(4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one has a molecular weight of 2242.29 g/mol, XLogP of 21.93, 24 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4S)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is sourced from PubChem (CID 159013401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).