2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine

C23H21F2N7 — CID 139415509

IUPAC2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(-n3cnc(C)c3)c(F)c2)nc2c1CCN2c1ccc(F)cc1
InChIInChI=1S/C23H21F2N7/c1-14-12-31(13-27-14)20-8-5-16(11-19(20)25)28-23-29-21(26-2)18-9-10-32(22(18)30-23)17-6-3-15(24)4-7-17/h3-8,11-13H,9-10H2,1-2H3,(H2,26,28,29,30)
InChIKeyCHEILUWMPYEIMK-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.73
Rot. Bonds5

About 2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine

2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 139415509) has the molecular formula C23H21F2N7 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID139415509
Molecular FormulaC23H21F2N7
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(-n3cnc(C)c3)c(F)c2)nc2c1CCN2c1ccc(F)cc1
InChIInChI=1S/C23H21F2N7/c1-14-12-31(13-27-14)20-8-5-16(11-19(20)25)28-23-29-21(26-2)18-9-10-32(22(18)30-23)17-6-3-15(24)4-7-17/h3-8,11-13H,9-10H2,1-2H3,(H2,26,28,29,30)
InChIKeyCHEILUWMPYEIMK-UHFFFAOYSA-N
XLogP4.73
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 139415509) is 2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine is CNc1nc(Nc2ccc(-n3cnc(C)c3)c(F)c2)nc2c1CCN2c1ccc(F)cc1.
What is the InChIKey of 2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CHEILUWMPYEIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7/c1-14-12-31(13-27-14)20-8-5-16(11-19(20)25)28-23-29-21(26-2)18-9-10-32(22(18)30-23)17-6-3-15(24)4-7-17/h3-8,11-13H,9-10H2,1-2H3,(H2,26,28,29,30).
What are the key properties of 2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 433.47 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-7-(4-fluorophenyl)-4-N-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 139415509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).