1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one

C52H43ClF4N14O4S2 — CID 123513248

About 1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one

1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one (PubChem CID 123513248) has the molecular formula C52H43ClF4N14O4S2 and a molecular weight of 1103.59 g/mol. Its IUPAC name is 1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one
• PubChem CID: 123513248
• Molecular Formula: C52H43ClF4N14O4S2
• Molecular Weight: 1103.59 g/mol
• Exact Mass: 1102.27
• IUPAC Name: 1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one
• SMILES: Nc1nccc(-c2nc(N3CCOC(c4cc(-c5nc(N6CCOCC6)sc5-c5ccc(F)c(N6CCN(c7ccc(F)c(Cl)c7)C6=O)c5)nc(N)n4)C3)sc2-c2ccc(F)c(N3CCN(c4ccc(F)cc4)C3=O)c2)n1
• InChI: InChI=1S/C52H43ClF4N14O4S2/c53-33-25-32(7-10-34(33)55)69-14-16-71(52(69)73)41-24-29(2-9-36(41)57)46-44(65-49(76-46)66-17-20-74-21-18-66)39-26-38(62-48(59)63-39)42-27-67(19-22-75-42)50-64-43(37-11-12-60-47(58)61-37)45(77-50)28-1-8-35(56)40(23-28)70-15-13-68(51(70)72)31-5-3-30(54)4-6-31/h1-12,23-26,42H,13-22,27H2,(H2,58,60,61)(H2,59,62,63)
• InChIKey: AUSOTZFBCQPPOC-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 201.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1103.59
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one?

The IUPAC name of 1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one (CID 123513248) is 1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one.

What is the SMILES notation for 1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one?

The canonical SMILES for 1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one is Nc1nccc(-c2nc(N3CCOC(c4cc(-c5nc(N6CCOCC6)sc5-c5ccc(F)c(N6CCN(c7ccc(F)c(Cl)c7)C6=O)c5)nc(N)n4)C3)sc2-c2ccc(F)c(N3CCN(c4ccc(F)cc4)C3=O)c2)n1.

What is the InChIKey of 1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one?

The InChIKey is AUSOTZFBCQPPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43ClF4N14O4S2/c53-33-25-32(7-10-34(33)55)69-14-16-71(52(69)73)41-24-29(2-9-36(41)57)46-44(65-49(76-46)66-17-20-74-21-18-66)39-26-38(62-48(59)63-39)42-27-67(19-22-75-42)50-64-43(37-11-12-60-47(58)61-37)45(77-50)28-1-8-35(56)40(23-28)70-15-13-68(51(70)72)31-5-3-30(54)4-6-31/h1-12,23-26,42H,13-22,27H2,(H2,58,60,61)(H2,59,62,63).

What are the key properties of 1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one?

1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one has a molecular weight of 1103.59 g/mol, XLogP of 9.53, 11 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-4-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-(4-fluorophenyl)imidazolidin-2-one is sourced from PubChem (CID 123513248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).