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

C24H21F3N6O2 — CID 126696807

IUPAC1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(-c3cn(C)c4ncnc(N)c34)c(F)c2)CC1c1cccc(OC(F)F)c1
InChIInChI=1S/C24H21F3N6O2/c1-31-10-17(20-21(28)29-12-30-22(20)31)16-7-6-14(9-18(16)25)33-11-19(32(2)24(33)34)13-4-3-5-15(8-13)35-23(26)27/h3-10,12,19,23H,11H2,1-2H3,(H2,28,29,30)
InChIKeyDMKTXLOWQKMATN-UHFFFAOYSA-N
MW482.47 g/mol
LogP4.57
Rot. Bonds5

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

1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one (PubChem CID 126696807) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one
PubChem CID126696807
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(-c3cn(C)c4ncnc(N)c34)c(F)c2)CC1c1cccc(OC(F)F)c1
InChIInChI=1S/C24H21F3N6O2/c1-31-10-17(20-21(28)29-12-30-22(20)31)16-7-6-14(9-18(16)25)33-11-19(32(2)24(33)34)13-4-3-5-15(8-13)35-23(26)27/h3-10,12,19,23H,11H2,1-2H3,(H2,28,29,30)
InChIKeyDMKTXLOWQKMATN-UHFFFAOYSA-N
XLogP4.57
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one
CID 126696728
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
1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-methyl-4-(2,4,5-trifluorophenyl)imidazolidin-2-one
CID 126696784
1-[4-(4-amino-2,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(6-chloro-3-pyridinyl)-3-methylimidazolidin-2-one
CID 126696739
1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one
CID 126696808
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
1-[4-(4-amino-7-cyclopropylpyrrolo[2,3-d]pyrimidin-5-yl)-3-chlorophenyl]-4-(3,5-difluorophenyl)-3-methylimidazolidin-2-one
CID 126696766
1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(4-fluorophenyl)-3-methylimidazolidin-2-one
CID 126696984
3-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1-(4-methylphenyl)imidazolidin-2-one
CID 145417086
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
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
1-[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-ethylimidazolidin-2-one
CID 145275615

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one (CID 126696807) is 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[3-(difluoromethoxy)phenyl]-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-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one is CN1C(=O)N(c2ccc(-c3cn(C)c4ncnc(N)c34)c(F)c2)CC1c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one?
The InChIKey is DMKTXLOWQKMATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-31-10-17(20-21(28)29-12-30-22(20)31)16-7-6-14(9-18(16)25)33-11-19(32(2)24(33)34)13-4-3-5-15(8-13)35-23(26)27/h3-10,12,19,23H,11H2,1-2H3,(H2,28,29,30).
What are the key properties of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one?
1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one has a molecular weight of 482.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-[3-(difluoromethoxy)phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 126696807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).