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

C26H24F2N6O — CID 126696716

IUPAC1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(5-cyclopropyl-2-fluorophenyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(-c3cn(C)c4ncnc(N)c34)c(F)c2)CC1c1cc(C2CC2)ccc1F
InChIInChI=1S/C26H24F2N6O/c1-32-11-19(23-24(29)30-13-31-25(23)32)17-7-6-16(10-21(17)28)34-12-22(33(2)26(34)35)18-9-15(14-3-4-14)5-8-20(18)27/h5-11,13-14,22H,3-4,12H2,1-2H3,(H2,29,30,31)
InChIKeyKDFFFCXCEBJRPL-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.99
Rot. Bonds4

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

1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(5-cyclopropyl-2-fluorophenyl)-3-methylimidazolidin-2-one (PubChem CID 126696716) has the molecular formula C26H24F2N6O and a molecular weight of 474.52 g/mol. Its IUPAC name is 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(5-cyclopropyl-2-fluorophenyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(5-cyclopropyl-2-fluorophenyl)-3-methylimidazolidin-2-one
PubChem CID126696716
Molecular FormulaC26H24F2N6O
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(5-cyclopropyl-2-fluorophenyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(-c3cn(C)c4ncnc(N)c34)c(F)c2)CC1c1cc(C2CC2)ccc1F
InChIInChI=1S/C26H24F2N6O/c1-32-11-19(23-24(29)30-13-31-25(23)32)17-7-6-16(10-21(17)28)34-12-22(33(2)26(34)35)18-9-15(14-3-4-14)5-8-20(18)27/h5-11,13-14,22H,3-4,12H2,1-2H3,(H2,29,30,31)
InChIKeyKDFFFCXCEBJRPL-UHFFFAOYSA-N
XLogP4.99
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(5-cyclopropyl-2-fluorophenyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(5-cyclopropyl-2-fluorophenyl)-3-methylimidazolidin-2-one (CID 126696716) is 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(5-cyclopropyl-2-fluorophenyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(5-cyclopropyl-2-fluorophenyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(5-cyclopropyl-2-fluorophenyl)-3-methylimidazolidin-2-one is CN1C(=O)N(c2ccc(-c3cn(C)c4ncnc(N)c34)c(F)c2)CC1c1cc(C2CC2)ccc1F.
What is the InChIKey of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(5-cyclopropyl-2-fluorophenyl)-3-methylimidazolidin-2-one?
The InChIKey is KDFFFCXCEBJRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N6O/c1-32-11-19(23-24(29)30-13-31-25(23)32)17-7-6-16(10-21(17)28)34-12-22(33(2)26(34)35)18-9-15(14-3-4-14)5-8-20(18)27/h5-11,13-14,22H,3-4,12H2,1-2H3,(H2,29,30,31).
What are the key properties of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(5-cyclopropyl-2-fluorophenyl)-3-methylimidazolidin-2-one?
1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(5-cyclopropyl-2-fluorophenyl)-3-methylimidazolidin-2-one has a molecular weight of 474.52 g/mol, XLogP of 4.99, 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-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(5-cyclopropyl-2-fluorophenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 126696716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).