1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-chlorophenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one

C25H21ClF2N6O — CID 126696766

About 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-chlorophenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one

1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-chlorophenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one (PubChem CID 126696766) has the molecular formula C25H21ClF2N6O and a molecular weight of 494.93 g/mol. Its IUPAC name is 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-chlorophenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-chlorophenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one
• PubChem CID: 126696766
• Molecular Formula: C25H21ClF2N6O
• Molecular Weight: 494.93 g/mol
• Exact Mass: 494.14
• IUPAC Name: 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-chlorophenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one
• SMILES: CN1C(=O)N(c2ccc(-c3cn(C4CC4)c4ncnc(N)c34)c(Cl)c2)CC1c1cc(F)cc(F)c1
• InChI: InChI=1S/C25H21ClF2N6O/c1-32-21(13-6-14(27)8-15(28)7-13)11-34(25(32)35)17-4-5-18(20(26)9-17)19-10-33(16-2-3-16)24-22(19)23(29)30-12-31-24/h4-10,12,16,21H,2-3,11H2,1H3,(H2,29,30,31)
• InChIKey: OGIOWKPTLDIRGW-UHFFFAOYSA-N
• XLogP: 5.56
• 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	494.93
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-chlorophenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one (CID 126696766) is 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-chlorophenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one.

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

The canonical SMILES for 1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-chlorophenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one is CN1C(=O)N(c2ccc(-c3cn(C4CC4)c4ncnc(N)c34)c(Cl)c2)CC1c1cc(F)cc(F)c1.

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

The InChIKey is OGIOWKPTLDIRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N6O/c1-32-21(13-6-14(27)8-15(28)7-13)11-34(25(32)35)17-4-5-18(20(26)9-17)19-10-33(16-2-3-16)24-22(19)23(29)30-12-31-24/h4-10,12,16,21H,2-3,11H2,1H3,(H2,29,30,31).

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

1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-chlorophenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one has a molecular weight of 494.93 g/mol, XLogP of 5.56, 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-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-chlorophenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 126696766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).