1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one

C26H24F2N6O — CID 126696984

About 1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one

1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one (PubChem CID 126696984) has the molecular formula C26H24F2N6O and a molecular weight of 474.52 g/mol. Its IUPAC name is 1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one
• PubChem CID: 126696984
• Molecular Formula: C26H24F2N6O
• Molecular Weight: 474.52 g/mol
• Exact Mass: 474.20
• IUPAC Name: 1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one
• SMILES: Cc1nc(N)c2c(-c3ccc(N4CC(c5ccc(F)cc5)N(C)C4=O)cc3F)cn(C3CC3)c2n1
• InChI: InChI=1S/C26H24F2N6O/c1-14-30-24(29)23-20(12-33(17-7-8-17)25(23)31-14)19-10-9-18(11-21(19)28)34-13-22(32(2)26(34)35)15-3-5-16(27)6-4-15/h3-6,9-12,17,22H,7-8,13H2,1-2H3,(H2,29,30,31)
• InChIKey: VXUWAWPPLGBFSQ-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 80.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.52
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one?

The IUPAC name of 1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one (CID 126696984) is 1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one.

What is the SMILES notation for 1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one?

The canonical SMILES for 1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one is Cc1nc(N)c2c(-c3ccc(N4CC(c5ccc(F)cc5)N(C)C4=O)cc3F)cn(C3CC3)c2n1.

What is the InChIKey of 1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one?

The InChIKey is VXUWAWPPLGBFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O/c1-14-30-24(29)23-20(12-33(17-7-8-17)25(23)31-14)19-10-9-18(11-21(19)28)34-13-22(32(2)26(34)35)15-3-5-16(27)6-4-15/h3-6,9-12,17,22H,7-8,13H2,1-2H3,(H2,29,30,31).

What are the key properties of 1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one?

1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one has a molecular weight of 474.52 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 126696984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).