1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one

C48H40Cl3F3N14O2 — CID 160517710

About 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one

1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one (PubChem CID 160517710) has the molecular formula C48H40Cl3F3N14O2 and a molecular weight of 1008.30 g/mol. Its IUPAC name is 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
• PubChem CID: 160517710
• Molecular Formula: C48H40Cl3F3N14O2
• Molecular Weight: 1008.30 g/mol
• Exact Mass: 1006.25
• IUPAC Name: 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
• SMILES: CCn1cc(-c2ccc(F)c(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)c(-c2ccnc(N)n2)n1.CCn1cc(-c2ccc(F)c(N3CCN(c4ccc(F)cc4Cl)C3=O)c2)c(-c2ccnc(N)n2)n1
• InChI: InChI=1S/C24H20Cl2FN7O.C24H20ClF2N7O/c1-2-32-13-16(22(31-32)20-7-8-29-23(28)30-20)14-3-6-19(27)21(11-14)34-10-9-33(24(34)35)15-4-5-17(25)18(26)12-15;1-2-32-13-16(22(31-32)19-7-8-29-23(28)30-19)14-3-5-18(27)21(11-14)34-10-9-33(24(34)35)20-6-4-15(26)12-17(20)25/h2*3-8,11-13H,2,9-10H2,1H3,(H2,28,29,30)
• InChIKey: QTWGMDLWGMEPAK-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 186.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1008.30
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?

The IUPAC name of 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one (CID 160517710) is 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one.

What is the SMILES notation for 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?

The canonical SMILES for 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one is CCn1cc(-c2ccc(F)c(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)c2)c(-c2ccnc(N)n2)n1.CCn1cc(-c2ccc(F)c(N3CCN(c4ccc(F)cc4Cl)C3=O)c2)c(-c2ccnc(N)n2)n1.

What is the InChIKey of 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?

The InChIKey is QTWGMDLWGMEPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FN7O.C24H20ClF2N7O/c1-2-32-13-16(22(31-32)20-7-8-29-23(28)30-20)14-3-6-19(27)21(11-14)34-10-9-33(24(34)35)15-4-5-17(25)18(26)12-15;1-2-32-13-16(22(31-32)19-7-8-29-23(28)30-19)14-3-5-18(27)21(11-14)34-10-9-33(24(34)35)20-6-4-15(26)12-17(20)25/h2*3-8,11-13H,2,9-10H2,1H3,(H2,28,29,30).

What are the key properties of 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one?

1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one has a molecular weight of 1008.30 g/mol, XLogP of 10.49, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(2-chloro-4-fluorophenyl)imidazolidin-2-one;1-[5-[3-(2-aminopyrimidin-4-yl)-1-ethylpyrazol-4-yl]-2-fluorophenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 160517710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).