3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one

C171H167Cl4N21O26S — CID 157497917

IUPAC3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one
SMILESCCOC(=O)c1cn(Cc2ccccc2)c(=O)cc1Nc1ccc(OC(C)C)c(Nc2ccc(OC(C)C)c(Cl)c2)c1.CCc1nc2ccc(Nc3ncc(CC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2s1.CCn1c(=O)cc(Nc2ccc(Oc3ccnc(C(=O)O)c3)cc2)n(Cc2ccc(C)cc2)c1=O.COC(=O)c1cccc(Oc2ccc(Nc3ncc(CC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1.Cc1ccc(Cn2c(Nc3ccc(Oc4ccccc4)cc3)cn(C)c2=O)cc1.O=C(Cc1cnc(Nc2ccc(Oc3cc[nH]c(=O)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C1CCOCC1
InChIInChI=1S/C33H36ClN3O5.C32H30ClN3O6.C29H27ClN4O5.C27H27ClN4O3S.C26H24N4O5.C24H23N3O2/c1-6-40-33(39)26-20-37(19-23-10-8-7-9-11-23)32(38)18-28(26)35-25-13-15-31(42-22(4)5)29(17-25)36-24-12-14-30(27(34)16-24)41-21(2)3;1-40-31(39)23-3-2-4-28(17-23)42-27-11-9-26(10-12-27)35-32-34-19-24(18-29(37)22-13-15-41-16-14-22)30(38)36(32)20-21-5-7-25(33)8-6-21;30-22-3-1-19(2-4-22)18-34-28(37)21(15-26(35)20-10-13-38-14-11-20)17-32-29(34)33-23-5-7-24(8-6-23)39-25-9-12-31-27(36)16-25;1-2-25-31-22-8-7-21(14-24(22)36-25)30-27-29-15-19(13-23(33)18-9-11-35-12-10-18)26(34)32(27)16-17-3-5-20(28)6-4-17;1-3-29-24(31)15-23(30(26(29)34)16-18-6-4-17(2)5-7-18)28-19-8-10-20(11-9-19)35-21-12-13-27-22(14-21)25(32)33;1-18-8-10-19(11-9-18)16-27-23(17-26(2)24(27)28)25-20-12-14-22(15-13-20)29-21-6-4-3-5-7-21/h7-18,20-22,35-36H,6,19H2,1-5H3;2-12,17,19,22H,13-16,18,20H2,1H3,(H,34,35);1-9,12,16-17,20H,10-11,13-15,18H2,(H,31,36)(H,32,33);3-8,14-15,18H,2,9-13,16H2,1H3,(H,29,30);4-15,28H,3,16H2,1-2H3,(H,32,33);3-15,17,25H,16H2,1-2H3
InChIKeyBYAXZSXHQXCMNJ-UHFFFAOYSA-N
MW3106.22 g/mol
LogP32.80
Rot. Bonds53

About 3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one

3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one (PubChem CID 157497917) has the molecular formula C171H167Cl4N21O26S and a molecular weight of 3106.22 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one
PubChem CID157497917
Molecular FormulaC171H167Cl4N21O26S
Molecular Weight3106.22 g/mol
Exact Mass3102.09
IUPAC Name3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one
SMILESCCOC(=O)c1cn(Cc2ccccc2)c(=O)cc1Nc1ccc(OC(C)C)c(Nc2ccc(OC(C)C)c(Cl)c2)c1.CCc1nc2ccc(Nc3ncc(CC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2s1.CCn1c(=O)cc(Nc2ccc(Oc3ccnc(C(=O)O)c3)cc2)n(Cc2ccc(C)cc2)c1=O.COC(=O)c1cccc(Oc2ccc(Nc3ncc(CC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1.Cc1ccc(Cn2c(Nc3ccc(Oc4ccccc4)cc3)cn(C)c2=O)cc1.O=C(Cc1cnc(Nc2ccc(Oc3cc[nH]c(=O)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C1CCOCC1
InChIInChI=1S/C33H36ClN3O5.C32H30ClN3O6.C29H27ClN4O5.C27H27ClN4O3S.C26H24N4O5.C24H23N3O2/c1-6-40-33(39)26-20-37(19-23-10-8-7-9-11-23)32(38)18-28(26)35-25-13-15-31(42-22(4)5)29(17-25)36-24-12-14-30(27(34)16-24)41-21(2)3;1-40-31(39)23-3-2-4-28(17-23)42-27-11-9-26(10-12-27)35-32-34-19-24(18-29(37)22-13-15-41-16-14-22)30(38)36(32)20-21-5-7-25(33)8-6-21;30-22-3-1-19(2-4-22)18-34-28(37)21(15-26(35)20-10-13-38-14-11-20)17-32-29(34)33-23-5-7-24(8-6-23)39-25-9-12-31-27(36)16-25;1-2-25-31-22-8-7-21(14-24(22)36-25)30-27-29-15-19(13-23(33)18-9-11-35-12-10-18)26(34)32(27)16-17-3-5-20(28)6-4-17;1-3-29-24(31)15-23(30(26(29)34)16-18-6-4-17(2)5-7-18)28-19-8-10-20(11-9-19)35-21-12-13-27-22(14-21)25(32)33;1-18-8-10-19(11-9-18)16-27-23(17-26(2)24(27)28)25-20-12-14-22(15-13-20)29-21-6-4-3-5-7-21/h7-18,20-22,35-36H,6,19H2,1-5H3;2-12,17,19,22H,13-16,18,20H2,1H3,(H,34,35);1-9,12,16-17,20H,10-11,13-15,18H2,(H,31,36)(H,32,33);3-8,14-15,18H,2,9-13,16H2,1H3,(H,29,30);4-15,28H,3,16H2,1-2H3,(H,32,33);3-15,17,25H,16H2,1-2H3
InChIKeyBYAXZSXHQXCMNJ-UHFFFAOYSA-N
XLogP32.80
TPSA564.63 Ų
H-Bond Donors9
H-Bond Acceptors46
Rotatable Bonds53
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003106.22
LogP ≤ 532.80
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1046

Analyze 3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one with MolForge

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Related Compounds

3-[4-[[1-[(4-chlorophenyl)methyl]-5-(2-cyclohexyl-2-oxoethyl)-6-oxopyrimidin-2-yl]amino]phenoxy]benzoic acid;5-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-3-carboxylic acid
CID 158528164
3-[(4-chlorophenyl)methyl]-2-[3-methyl-4-(1,2-oxazol-3-yloxy)anilino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one
CID 160850396
3-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]benzamide
CID 118683356
ethyl 2-[4-[[3-[(4-chlorophenyl)methyl]-1-ethyl-2,6-dioxopyrimidin-4-yl]amino]phenoxy]-1,3-thiazole-5-carboxylate
CID 118683355
4-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid
CID 130278392
2-[4-[[1-[(4-chlorophenyl)methyl]-5-ethoxycarbonyl-6-oxopyrimidin-2-yl]amino]phenoxy]-1,3-thiazole-5-carboxylic acid
CID 118683364
methyl 2-[3-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-(2-oxobutyl)pyrimidin-2-yl]amino]phenoxy]phenyl]acetate
CID 160775736
N-[1-[(4-chlorophenyl)methyl]-2-(3-methyl-4-propan-2-yloxyanilino)-6-oxopyrimidin-5-yl]oxane-4-carboxamide
CID 118579699
3-[3-[(4-chlorophenyl)methyl]-4-(3-chloro-4-propan-2-yloxyanilino)-2,6-dioxopyrimidin-1-yl]propanoic acid
CID 162668877
3-[[4-(3-chloro-4-propan-2-yloxyanilino)-3-[(4-methylphenyl)methyl]-2,6-dioxo-1,3,5-triazin-1-yl]methyl]oxetane-3-carboxylic acid
CID 118945430
6-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-(2-oxobutyl)pyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid
CID 159902244
4-[4-[[1-[(4-chlorophenyl)methyl]-6-oxo-5-(propanoylamino)pyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide
CID 118685869

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one (CID 157497917) is 3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one is CCOC(=O)c1cn(Cc2ccccc2)c(=O)cc1Nc1ccc(OC(C)C)c(Nc2ccc(OC(C)C)c(Cl)c2)c1.CCc1nc2ccc(Nc3ncc(CC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2s1.CCn1c(=O)cc(Nc2ccc(Oc3ccnc(C(=O)O)c3)cc2)n(Cc2ccc(C)cc2)c1=O.COC(=O)c1cccc(Oc2ccc(Nc3ncc(CC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)c1.Cc1ccc(Cn2c(Nc3ccc(Oc4ccccc4)cc3)cn(C)c2=O)cc1.O=C(Cc1cnc(Nc2ccc(Oc3cc[nH]c(=O)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O)C1CCOCC1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one?
The InChIKey is BYAXZSXHQXCMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36ClN3O5.C32H30ClN3O6.C29H27ClN4O5.C27H27ClN4O3S.C26H24N4O5.C24H23N3O2/c1-6-40-33(39)26-20-37(19-23-10-8-7-9-11-23)32(38)18-28(26)35-25-13-15-31(42-22(4)5)29(17-25)36-24-12-14-30(27(34)16-24)41-21(2)3;1-40-31(39)23-3-2-4-28(17-23)42-27-11-9-26(10-12-27)35-32-34-19-24(18-29(37)22-13-15-41-16-14-22)30(38)36(32)20-21-5-7-25(33)8-6-21;30-22-3-1-19(2-4-22)18-34-28(37)21(15-26(35)20-10-13-38-14-11-20)17-32-29(34)33-23-5-7-24(8-6-23)39-25-9-12-31-27(36)16-25;1-2-25-31-22-8-7-21(14-24(22)36-25)30-27-29-15-19(13-23(33)18-9-11-35-12-10-18)26(34)32(27)16-17-3-5-20(28)6-4-17;1-3-29-24(31)15-23(30(26(29)34)16-18-6-4-17(2)5-7-18)28-19-8-10-20(11-9-19)35-21-12-13-27-22(14-21)25(32)33;1-18-8-10-19(11-9-18)16-27-23(17-26(2)24(27)28)25-20-12-14-22(15-13-20)29-21-6-4-3-5-7-21/h7-18,20-22,35-36H,6,19H2,1-5H3;2-12,17,19,22H,13-16,18,20H2,1H3,(H,34,35);1-9,12,16-17,20H,10-11,13-15,18H2,(H,31,36)(H,32,33);3-8,14-15,18H,2,9-13,16H2,1H3,(H,29,30);4-15,28H,3,16H2,1-2H3,(H,32,33);3-15,17,25H,16H2,1-2H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one?
3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one has a molecular weight of 3106.22 g/mol, XLogP of 32.80, 53 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-2-[(2-ethyl-1,3-benzothiazol-6-yl)amino]-5-[2-(oxan-4-yl)-2-oxoethyl]pyrimidin-4-one;3-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-2-[4-[(2-oxo-1H-pyridin-4-yl)oxy]anilino]pyrimidin-4-one;ethyl 1-benzyl-4-[3-(3-chloro-4-propan-2-yloxyanilino)-4-propan-2-yloxyanilino]-6-oxopyridine-3-carboxylate;4-[4-[[1-ethyl-3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid;methyl 3-[4-[[1-[(4-chlorophenyl)methyl]-5-[2-(oxan-4-yl)-2-oxoethyl]-6-oxopyrimidin-2-yl]amino]phenoxy]benzoate;1-methyl-3-[(4-methylphenyl)methyl]-4-(4-phenoxyanilino)imidazol-2-one is sourced from PubChem (CID 157497917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).