1-[3-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-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 123821179

About 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-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-[3-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-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 123821179) has the molecular formula C52H43ClF4N14O4S2 and a molecular weight of 1103.59 g/mol. Its IUPAC name is 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-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-[3-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-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: 123821179
• Molecular Formula: C52H43ClF4N14O4S2
• Molecular Weight: 1103.59 g/mol
• Exact Mass: 1102.27
• IUPAC Name: 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-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-c5cccc(N6CCN(c7ccc(F)c(Cl)c7)C6=O)c5F)nc(N)n4)C3)sc2-c2cccc(N3CCN(c4ccc(F)cc4)C3=O)c2F)n1
• InChI: InChI=1S/C52H43ClF4N14O4S2/c53-33-25-30(11-12-34(33)55)69-16-18-71(52(69)73)39-6-2-4-32(42(39)57)46-44(65-49(76-46)66-19-22-74-23-20-66)37-26-36(62-48(59)63-37)40-27-67(21-24-75-40)50-64-43(35-13-14-60-47(58)61-35)45(77-50)31-3-1-5-38(41(31)56)70-17-15-68(51(70)72)29-9-7-28(54)8-10-29/h1-14,25-26,40H,15-24,27H2,(H2,58,60,61)(H2,59,62,63)
• InChIKey: VBEDVUKCSLBAEY-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-[3-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-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-[3-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-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 123821179) is 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-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-[3-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-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-[3-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-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-c5cccc(N6CCN(c7ccc(F)c(Cl)c7)C6=O)c5F)nc(N)n4)C3)sc2-c2cccc(N3CCN(c4ccc(F)cc4)C3=O)c2F)n1.

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

What are the key properties of 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-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-[3-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-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-[3-[2-[2-[2-amino-6-[5-[3-[3-(3-chloro-4-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-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 123821179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).