1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one

C24H22F4N6O — CID 126711932

IUPAC1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one
SMILESCN1C=C(c2ccc(N3CCN(Cc4cc(C(F)F)ccc4F)C3=O)cc2F)C2C(N)=NC=NC21
InChIInChI=1S/C24H22F4N6O/c1-32-11-17(20-22(29)30-12-31-23(20)32)16-4-3-15(9-19(16)26)34-7-6-33(24(34)35)10-14-8-13(21(27)28)2-5-18(14)25/h2-5,8-9,11-12,20-21,23H,6-7,10H2,1H3,(H2,29,30,31)
InChIKeyHJQCJDTUIDGMDX-UHFFFAOYSA-N
MW486.47 g/mol
LogP3.97
Rot. Bonds5

About 1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one

1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one (PubChem CID 126711932) has the molecular formula C24H22F4N6O and a molecular weight of 486.47 g/mol. Its IUPAC name is 1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one
PubChem CID126711932
Molecular FormulaC24H22F4N6O
Molecular Weight486.47 g/mol
Exact Mass486.18
IUPAC Name1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one
SMILESCN1C=C(c2ccc(N3CCN(Cc4cc(C(F)F)ccc4F)C3=O)cc2F)C2C(N)=NC=NC21
InChIInChI=1S/C24H22F4N6O/c1-32-11-17(20-22(29)30-12-31-23(20)32)16-4-3-15(9-19(16)26)34-7-6-33(24(34)35)10-14-8-13(21(27)28)2-5-18(14)25/h2-5,8-9,11-12,20-21,23H,6-7,10H2,1H3,(H2,29,30,31)
InChIKeyHJQCJDTUIDGMDX-UHFFFAOYSA-N
XLogP3.97
TPSA77.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[3-[(2,5-difluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-2-fluorophenyl]-1H-pyridin-2-one
CID 126711841
1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]imidazolidin-2-one
CID 126696553
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
1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one
CID 4266316
1-ethyl-3-(4-fluorophenyl)imidazolidin-2-one
CID 23201880
1-(4-bromo-3-methoxyphenyl)-3-[(3-fluorophenyl)methyl]imidazolidin-2-one
CID 121479507
1-[(3-fluorophenyl)methyl]-3-[4-(3-fluoro-4-pyridinyl)phenyl]imidazolidin-2-one
CID 140829082
1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine
CID 117291412
2-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[(2,5-difluorophenyl)methyl]-6,6-dimethyl-2,4-diazabicyclo[3.1.0]hexan-3-one
CID 126696599
N-[4-[3-[(2,5-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-3-methylbenzenesulfonamide
CID 42869152
2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174448031
1-(3-fluoro-4-phenylphenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
CID 174676000

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one (CID 126711932) is 1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one is CN1C=C(c2ccc(N3CCN(Cc4cc(C(F)F)ccc4F)C3=O)cc2F)C2C(N)=NC=NC21.
What is the InChIKey of 1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one?
The InChIKey is HJQCJDTUIDGMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N6O/c1-32-11-17(20-22(29)30-12-31-23(20)32)16-4-3-15(9-19(16)26)34-7-6-33(24(34)35)10-14-8-13(21(27)28)2-5-18(14)25/h2-5,8-9,11-12,20-21,23H,6-7,10H2,1H3,(H2,29,30,31).
What are the key properties of 1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one?
1-[4-(4-amino-7-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one has a molecular weight of 486.47 g/mol, XLogP of 3.97, 5 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-methyl-4a,7a-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[[5-(difluoromethyl)-2-fluorophenyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 126711932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).