1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one

C24H22F2N6O — CID 126711898

IUPAC1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1cc(F)cc(CN2CCN(c3ccc(-c4cn(C)c5ncnc(N)c45)c(F)c3)C2=O)c1
InChIInChI=1S/C24H22F2N6O/c1-14-7-15(9-16(25)8-14)11-31-5-6-32(24(31)33)17-3-4-18(20(26)10-17)19-12-30(2)23-21(19)22(27)28-13-29-23/h3-4,7-10,12-13H,5-6,11H2,1-2H3,(H2,27,28,29)
InChIKeyHVQGEYHGNDADJZ-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.25
Rot. Bonds4

About 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one

1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one (PubChem CID 126711898) has the molecular formula C24H22F2N6O and a molecular weight of 448.48 g/mol. Its IUPAC name is 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one
PubChem CID126711898
Molecular FormulaC24H22F2N6O
Molecular Weight448.48 g/mol
Exact Mass448.18
IUPAC Name1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1cc(F)cc(CN2CCN(c3ccc(-c4cn(C)c5ncnc(N)c45)c(F)c3)C2=O)c1
InChIInChI=1S/C24H22F2N6O/c1-14-7-15(9-16(25)8-14)11-31-5-6-32(24(31)33)17-3-4-18(20(26)10-17)19-12-30(2)23-21(19)22(27)28-13-29-23/h3-4,7-10,12-13H,5-6,11H2,1-2H3,(H2,27,28,29)
InChIKeyHVQGEYHGNDADJZ-UHFFFAOYSA-N
XLogP4.25
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.25
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]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one (CID 126711898) is 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one is Cc1cc(F)cc(CN2CCN(c3ccc(-c4cn(C)c5ncnc(N)c45)c(F)c3)C2=O)c1.
What is the InChIKey of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one?
The InChIKey is HVQGEYHGNDADJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O/c1-14-7-15(9-16(25)8-14)11-31-5-6-32(24(31)33)17-3-4-18(20(26)10-17)19-12-30(2)23-21(19)22(27)28-13-29-23/h3-4,7-10,12-13H,5-6,11H2,1-2H3,(H2,27,28,29).
What are the key properties of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one?
1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one has a molecular weight of 448.48 g/mol, XLogP of 4.25, 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]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 126711898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).