1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one

C24H21F3N6O — CID 126696692

IUPAC1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one
SMILESCc1c(-c2ccc(N3CC(c4cc(F)ccc4F)N(C)C3=O)cc2F)c2c(N)ncnc2n1C
InChIInChI=1S/C24H21F3N6O/c1-12-20(21-22(28)29-11-30-23(21)31(12)2)15-6-5-14(9-18(15)27)33-10-19(32(3)24(33)34)16-8-13(25)4-7-17(16)26/h4-9,11,19H,10H2,1-3H3,(H2,28,29,30)
InChIKeyGLQKIXGRHJNHHN-UHFFFAOYSA-N
MW466.47 g/mol
LogP4.56
Rot. Bonds3

About 1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one

1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one (PubChem CID 126696692) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one
PubChem CID126696692
Molecular FormulaC24H21F3N6O
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one
SMILESCc1c(-c2ccc(N3CC(c4cc(F)ccc4F)N(C)C3=O)cc2F)c2c(N)ncnc2n1C
InChIInChI=1S/C24H21F3N6O/c1-12-20(21-22(28)29-11-30-23(21)31(12)2)15-6-5-14(9-18(15)27)33-10-19(32(3)24(33)34)16-8-13(25)4-7-17(16)26/h4-9,11,19H,10H2,1-3H3,(H2,28,29,30)
InChIKeyGLQKIXGRHJNHHN-UHFFFAOYSA-N
XLogP4.56
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one (CID 126696692) is 1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one is Cc1c(-c2ccc(N3CC(c4cc(F)ccc4F)N(C)C3=O)cc2F)c2c(N)ncnc2n1C.
What is the InChIKey of 1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one?
The InChIKey is GLQKIXGRHJNHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O/c1-12-20(21-22(28)29-11-30-23(21)31(12)2)15-6-5-14(9-18(15)27)33-10-19(32(3)24(33)34)16-8-13(25)4-7-17(16)26/h4-9,11,19H,10H2,1-3H3,(H2,28,29,30).
What are the key properties of 1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one?
1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one has a molecular weight of 466.47 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-6,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 126696692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).