N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide

C116H129Br3Cl4F8N22O18 — CID 167671593

IUPACN-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide
SMILESCC[C@H](CC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1)c1cc(Br)cc(C(F)F)c1.CC[C@H](CC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(Br)c1.CC[C@H](CC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(C(F)(F)F)c1.CC[C@H](CC(=O)CNC(=O)c1cncc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(Br)c1.CC[C@H](CC(=O)CNC(=O)c1cncc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C24H27BrF2N4O4.C24H26ClF3N4O4.C23H26BrClN4O4.C23H25ClF3N5O3.C22H25BrClN5O3/c1-2-13(14-3-15(22(26)27)5-17(25)4-14)7-20(33)10-28-23(35)16-6-18(9-19(32)8-16)31-24-29-11-21(34)12-30-24;1-2-13(14-3-16(24(26,27)28)8-17(25)4-14)6-20(34)10-29-22(36)15-5-18(9-19(33)7-15)32-23-30-11-21(35)12-31-23;1-2-13(14-3-16(24)8-17(25)4-14)6-20(31)10-26-22(33)15-5-18(9-19(30)7-15)29-23-27-11-21(32)12-28-23;1-2-13(14-3-16(23(25,26)27)7-17(24)4-14)6-19(33)10-29-21(35)15-5-18(9-28-8-15)32-22-30-11-20(34)12-31-22;1-2-13(14-3-16(23)7-17(24)4-14)6-19(30)10-26-21(32)15-5-18(9-25-8-15)29-22-27-11-20(31)12-28-22/h3-6,8-9,13,21-22,32,34H,2,7,10-12H2,1H3,(H,28,35)(H2,29,30,31);3-5,7-9,13,21,33,35H,2,6,10-12H2,1H3,(H,29,36)(H2,30,31,32);3-5,7-9,13,21,30,32H,2,6,10-12H2,1H3,(H,26,33)(H2,27,28,29);3-5,7-9,13,20,34H,2,6,10-12H2,1H3,(H,29,35)(H2,30,31,32);3-5,7-9,13,20,31H,2,6,10-12H2,1H3,(H,26,32)(H2,27,28,29)/t5*13-/m11111/s1
InChIKeyUEUDSOZTCFJIEU-KXHWXJMOSA-N
MW2652.95 g/mol
LogP17.29
Rot. Bonds41

About N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide

N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide (PubChem CID 167671593) has the molecular formula C116H129Br3Cl4F8N22O18 and a molecular weight of 2652.95 g/mol. Its IUPAC name is N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide
PubChem CID167671593
Molecular FormulaC116H129Br3Cl4F8N22O18
Molecular Weight2652.95 g/mol
Exact Mass2646.60
IUPAC NameN-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide
SMILESCC[C@H](CC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1)c1cc(Br)cc(C(F)F)c1.CC[C@H](CC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(Br)c1.CC[C@H](CC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(C(F)(F)F)c1.CC[C@H](CC(=O)CNC(=O)c1cncc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(Br)c1.CC[C@H](CC(=O)CNC(=O)c1cncc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C24H27BrF2N4O4.C24H26ClF3N4O4.C23H26BrClN4O4.C23H25ClF3N5O3.C22H25BrClN5O3/c1-2-13(14-3-15(22(26)27)5-17(25)4-14)7-20(33)10-28-23(35)16-6-18(9-19(32)8-16)31-24-29-11-21(34)12-30-24;1-2-13(14-3-16(24(26,27)28)8-17(25)4-14)6-20(34)10-29-22(36)15-5-18(9-19(33)7-15)32-23-30-11-21(35)12-31-23;1-2-13(14-3-16(24)8-17(25)4-14)6-20(31)10-26-22(33)15-5-18(9-19(30)7-15)29-23-27-11-21(32)12-28-23;1-2-13(14-3-16(23(25,26)27)7-17(24)4-14)6-19(33)10-29-21(35)15-5-18(9-28-8-15)32-22-30-11-20(34)12-31-22;1-2-13(14-3-16(23)7-17(24)4-14)6-19(30)10-26-21(32)15-5-18(9-25-8-15)29-22-27-11-20(31)12-28-22/h3-6,8-9,13,21-22,32,34H,2,7,10-12H2,1H3,(H,28,35)(H2,29,30,31);3-5,7-9,13,21,33,35H,2,6,10-12H2,1H3,(H,29,36)(H2,30,31,32);3-5,7-9,13,21,30,32H,2,6,10-12H2,1H3,(H,26,33)(H2,27,28,29);3-5,7-9,13,20,34H,2,6,10-12H2,1H3,(H,29,35)(H2,30,31,32);3-5,7-9,13,20,31H,2,6,10-12H2,1H3,(H,26,32)(H2,27,28,29)/t5*13-/m11111/s1
InChIKeyUEUDSOZTCFJIEU-KXHWXJMOSA-N
XLogP17.29
TPSA600.57 Ų
H-Bond Donors23
H-Bond Acceptors35
Rotatable Bonds41
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002652.95
LogP ≤ 517.29
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1035

Analyze N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-bromo-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3,5-dibromophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide
CID 158945624
N-[(4R)-4-(3-tert-butyl-5-chlorophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 157124865
(3S)-3-[3-bromo-5-(2-cyanopropan-2-yl)phenyl]-6-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]-5-oxohexanoic acid
CID 159824191
(3S)-3-(3-bromo-5-chlorophenyl)-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoic acid
CID 130198063
(3S)-3-[3-chloro-5-(difluoromethyl)phenyl]-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoic acid
CID 130198068
(3S)-3-[3-chloro-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoic acid
CID 72950693
(3S)-3-[3-chloro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-3-[[2-[[5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carbonyl]amino]acetyl]amino]propanoic acid
CID 72948964
(3S)-3-(3-tert-butyl-5-chlorophenyl)-6-[[3-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]-5-oxohexanoic acid;(3S)-3-(3-tert-butyl-5-chlorophenyl)-6-[[5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carbonyl]amino]-5-oxohexanoic acid;bis(N-[(4R)-4-(3-tert-butyl-5-isocyanophenyl)-2-oxohexyl]-5-[(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide)
CID 159814836
(3S)-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]-3-[3-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenyl]propanoic acid
CID 86709949
4-(3,5-dichlorophenyl)-4-hydroxy-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]butanoic acid
CID 59897800
ethyl (3S)-3-[3-bromo-5-[1-(difluoromethyl)cyclopropyl]phenyl]-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoate
CID 86709971
ethyl (3S)-3-[3-bromo-5-(2-cyanopropan-2-yl)phenyl]-3-[[2-[[3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoate
CID 86709948

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide (CID 167671593) is N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide is CC[C@H](CC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1)c1cc(Br)cc(C(F)F)c1.CC[C@H](CC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(Br)c1.CC[C@H](CC(=O)CNC(=O)c1cc(O)cc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(C(F)(F)F)c1.CC[C@H](CC(=O)CNC(=O)c1cncc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(Br)c1.CC[C@H](CC(=O)CNC(=O)c1cncc(NC2=NCC(O)CN2)c1)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide?
The InChIKey is UEUDSOZTCFJIEU-KXHWXJMOSA-N. The full InChI is InChI=1S/C24H27BrF2N4O4.C24H26ClF3N4O4.C23H26BrClN4O4.C23H25ClF3N5O3.C22H25BrClN5O3/c1-2-13(14-3-15(22(26)27)5-17(25)4-14)7-20(33)10-28-23(35)16-6-18(9-19(32)8-16)31-24-29-11-21(34)12-30-24;1-2-13(14-3-16(24(26,27)28)8-17(25)4-14)6-20(34)10-29-22(36)15-5-18(9-19(33)7-15)32-23-30-11-21(35)12-31-23;1-2-13(14-3-16(24)8-17(25)4-14)6-20(31)10-26-22(33)15-5-18(9-19(30)7-15)29-23-27-11-21(32)12-28-23;1-2-13(14-3-16(23(25,26)27)7-17(24)4-14)6-19(33)10-29-21(35)15-5-18(9-28-8-15)32-22-30-11-20(34)12-31-22;1-2-13(14-3-16(23)7-17(24)4-14)6-19(30)10-26-21(32)15-5-18(9-25-8-15)29-22-27-11-20(31)12-28-22/h3-6,8-9,13,21-22,32,34H,2,7,10-12H2,1H3,(H,28,35)(H2,29,30,31);3-5,7-9,13,21,33,35H,2,6,10-12H2,1H3,(H,29,36)(H2,30,31,32);3-5,7-9,13,21,30,32H,2,6,10-12H2,1H3,(H,26,33)(H2,27,28,29);3-5,7-9,13,20,34H,2,6,10-12H2,1H3,(H,29,35)(H2,30,31,32);3-5,7-9,13,20,31H,2,6,10-12H2,1H3,(H,26,32)(H2,27,28,29)/t5*13-/m11111/s1.
What are the key properties of N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide?
N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 2652.95 g/mol, XLogP of 17.29, 41 rotatable bonds, 23 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-(3-bromo-5-chlorophenyl)-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide;N-[(4R)-4-[3-bromo-5-(difluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzamide;N-[(4R)-4-[3-chloro-5-(trifluoromethyl)phenyl]-2-oxohexyl]-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 167671593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).