2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one

C58H42F10N16O4 — CID 137394608

IUPAC2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
SMILESCc1cc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)N(Cc3cc(-c4cncnc4)cc(C4(c5ccnc(C(F)(F)F)c5)N=C(N)N(Cc5cc(-c6cncnc6)cc(C6(c7ccnc(C(F)F)c7)N=C(N)N(C)C6=O)c5)C4=O)c3)C2=O)ccc1OC(F)F
InChIInChI=1S/C58H42F10N16O4/c1-29-11-36(3-4-43(29)88-50(61)62)54(38-6-9-77-44(19-38)57(63,64)65)48(86)83(52(70)80-54)25-31-13-33(35-23-74-28-75-24-35)17-41(15-31)56(39-7-10-78-45(20-39)58(66,67)68)49(87)84(53(71)81-56)26-30-12-32(34-21-72-27-73-22-34)16-40(14-30)55(47(85)82(2)51(69)79-55)37-5-8-76-42(18-37)46(59)60/h3-24,27-28,46,50H,25-26H2,1-2H3,(H2,69,79)(H2,70,80)(H2,71,81)
InChIKeyIHQYJMGHKZJCRT-UHFFFAOYSA-N
MW1217.06 g/mol
LogP7.90
Rot. Bonds15

About 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one

2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one (PubChem CID 137394608) has the molecular formula C58H42F10N16O4 and a molecular weight of 1217.06 g/mol. Its IUPAC name is 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
PubChem CID137394608
Molecular FormulaC58H42F10N16O4
Molecular Weight1217.06 g/mol
Exact Mass1216.34
IUPAC Name2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
SMILESCc1cc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)N(Cc3cc(-c4cncnc4)cc(C4(c5ccnc(C(F)(F)F)c5)N=C(N)N(Cc5cc(-c6cncnc6)cc(C6(c7ccnc(C(F)F)c7)N=C(N)N(C)C6=O)c5)C4=O)c3)C2=O)ccc1OC(F)F
InChIInChI=1S/C58H42F10N16O4/c1-29-11-36(3-4-43(29)88-50(61)62)54(38-6-9-77-44(19-38)57(63,64)65)48(86)83(52(70)80-54)25-31-13-33(35-23-74-28-75-24-35)17-41(15-31)56(39-7-10-78-45(20-39)58(66,67)68)49(87)84(53(71)81-56)26-30-12-32(34-21-72-27-73-22-34)16-40(14-30)55(47(85)82(2)51(69)79-55)37-5-8-76-42(18-37)46(59)60/h3-24,27-28,46,50H,25-26H2,1-2H3,(H2,69,79)(H2,70,80)(H2,71,81)
InChIKeyIHQYJMGHKZJCRT-UHFFFAOYSA-N
XLogP7.90
TPSA275.53 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001217.06
LogP ≤ 57.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one 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-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The IUPAC name of 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one (CID 137394608) is 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one.
What is the SMILES notation for 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The canonical SMILES for 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one is Cc1cc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)N(Cc3cc(-c4cncnc4)cc(C4(c5ccnc(C(F)(F)F)c5)N=C(N)N(Cc5cc(-c6cncnc6)cc(C6(c7ccnc(C(F)F)c7)N=C(N)N(C)C6=O)c5)C4=O)c3)C2=O)ccc1OC(F)F.
What is the InChIKey of 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The InChIKey is IHQYJMGHKZJCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42F10N16O4/c1-29-11-36(3-4-43(29)88-50(61)62)54(38-6-9-77-44(19-38)57(63,64)65)48(86)83(52(70)80-54)25-31-13-33(35-23-74-28-75-24-35)17-41(15-31)56(39-7-10-78-45(20-39)58(66,67)68)49(87)84(53(71)81-56)26-30-12-32(34-21-72-27-73-22-34)16-40(14-30)55(47(85)82(2)51(69)79-55)37-5-8-76-42(18-37)46(59)60/h3-24,27-28,46,50H,25-26H2,1-2H3,(H2,69,79)(H2,70,80)(H2,71,81).
What are the key properties of 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one has a molecular weight of 1217.06 g/mol, XLogP of 7.90, 15 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one is sourced from PubChem (CID 137394608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).