2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C61H46F5N17O3 — CID 142510293

IUPAC2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cc(CN3C(=O)C(c4cc(CN5C(=O)C(c6ccc(CF)nc6)(c6cccc(-c7cncnc7)c6)N=C5N)cc(-c5cncnc5)c4)(c4cccc(C(F)F)c4)N=C3N)cc(-c3cncnc3)c2)(c2cccc(C(F)F)n2)N=C1N
InChIInChI=1S/C61H46F5N17O3/c1-81-53(84)61(78-56(81)67,50-10-4-9-49(77-50)52(65)66)47-16-35(14-39(20-47)42-26-74-33-75-27-42)30-83-55(86)60(80-58(83)69,44-8-3-6-37(18-44)51(63)64)46-15-34(13-38(19-46)41-24-72-32-73-25-41)29-82-54(85)59(79-57(82)68,45-11-12-48(21-62)76-28-45)43-7-2-5-36(17-43)40-22-70-31-71-23-40/h2-20,22-28,31-33,51-52H,21,29-30H2,1H3,(H2,67,78)(H2,68,79)(H2,69,80)
InChIKeyYYZGDQMWXHRUHN-UHFFFAOYSA-N
MW1160.14 g/mol
LogP7.42
Rot. Bonds16

About 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 142510293) has the molecular formula C61H46F5N17O3 and a molecular weight of 1160.14 g/mol. Its IUPAC name is 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID142510293
Molecular FormulaC61H46F5N17O3
Molecular Weight1160.14 g/mol
Exact Mass1159.39
IUPAC Name2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cc(CN3C(=O)C(c4cc(CN5C(=O)C(c6ccc(CF)nc6)(c6cccc(-c7cncnc7)c6)N=C5N)cc(-c5cncnc5)c4)(c4cccc(C(F)F)c4)N=C3N)cc(-c3cncnc3)c2)(c2cccc(C(F)F)n2)N=C1N
InChIInChI=1S/C61H46F5N17O3/c1-81-53(84)61(78-56(81)67,50-10-4-9-49(77-50)52(65)66)47-16-35(14-39(20-47)42-26-74-33-75-27-42)30-83-55(86)60(80-58(83)69,44-8-3-6-37(18-44)51(63)64)46-15-34(13-38(19-46)41-24-72-32-73-25-41)29-82-54(85)59(79-57(82)68,45-11-12-48(21-62)76-28-45)43-7-2-5-36(17-43)40-22-70-31-71-23-40/h2-20,22-28,31-33,51-52H,21,29-30H2,1H3,(H2,67,78)(H2,68,79)(H2,69,80)
InChIKeyYYZGDQMWXHRUHN-UHFFFAOYSA-N
XLogP7.42
TPSA279.19 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001160.14
LogP ≤ 57.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one with MolForge

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Launch Full Analysis

Related Compounds

(5R)-5-(4-fluorophenyl)-2-imino-3-[[3-[2-[5-(4-methylpiperazin-1-yl)-3-pyridyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]-4-(trifluoromethyl)phenyl]methyl]-5-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 135155766
2-[6-[4-[2-(2-Fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]ethanone
CID 58428610
(Z)-N-[(2S)-1-oxo-3-phenyl-1-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 67005278
N-[(2S)-1-oxo-3-phenyl-1-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]propan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 67005279
(Z)-N-[(2S)-1-oxo-3-phenyl-1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-[(4-pyrimidin-5-ylphenyl)methyl]-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 67384907
N-[(2S)-1-oxo-3-phenyl-1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-[(4-pyrimidin-5-ylphenyl)methyl]-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide
CID 67384909
N-[1-oxo-3-phenyl-1-(4-phenylpiperidin-1-yl)propan-2-yl]-N-[(4-pyrimidin-5-ylphenyl)methyl]-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 67384912
1-(4-Pyrimidin-2-ylpiperazin-1-yl)-2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanone
CID 68703798
1-[Cyclopropanecarbonyl-[5-(3-fluoro-4-pyridinyl)-6-pyrimidin-5-ylpyrazin-2-yl]amino]-2-(3-fluoro-2-pyrazin-2-yl-4-pyridinyl)-3-pyrazin-2-ylcyclopropane-1-carboxamide
CID 69174266
[(7S)-7-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-phenylphenyl)methanone;(5-methyl-2-pyrimidin-2-ylphenyl)-[(7S)-7-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 87180376
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3,5-bis(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 87240654
6-[3-[2-[2-[[6-[3-(2-tert-butylpyrimidin-4-yl)-N-carbamoyl-2,6-difluoroanilino]-2-pyridin-2-ylpyridine-3-carbonyl]amino]propan-2-yl]pyrimidin-4-yl]-N-carbamoyl-2,6-difluoroanilino]-2-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 88535611

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 142510293) is 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CN1C(=O)C(c2cc(CN3C(=O)C(c4cc(CN5C(=O)C(c6ccc(CF)nc6)(c6cccc(-c7cncnc7)c6)N=C5N)cc(-c5cncnc5)c4)(c4cccc(C(F)F)c4)N=C3N)cc(-c3cncnc3)c2)(c2cccc(C(F)F)n2)N=C1N.
What is the InChIKey of 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is YYZGDQMWXHRUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H46F5N17O3/c1-81-53(84)61(78-56(81)67,50-10-4-9-49(77-50)52(65)66)47-16-35(14-39(20-47)42-26-74-33-75-27-42)30-83-55(86)60(80-58(83)69,44-8-3-6-37(18-44)51(63)64)46-15-34(13-38(19-46)41-24-72-32-73-25-41)29-82-54(85)59(79-57(82)68,45-11-12-48(21-62)76-28-45)43-7-2-5-36(17-43)40-22-70-31-71-23-40/h2-20,22-28,31-33,51-52H,21,29-30H2,1H3,(H2,67,78)(H2,68,79)(H2,69,80).
What are the key properties of 2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-3-[[3-[2-amino-1-[[3-[2-amino-4-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 1160.14 g/mol, XLogP of 7.42, 16 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-[6-(difluoromethyl)-2-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-4-[3-(difluoromethyl)phenyl]-5-oxoimidazol-4-yl]-5-pyrimidin-5-ylphenyl]methyl]-5-[6-(fluoromethyl)-3-pyridinyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 142510293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).