2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide

C162H169Cl7N40O21S — CID 159367869

IUPAC2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide
SMILESCC(C)N(CCO)C(=O)c1ccc(Nc2ncc(NC(=O)c3c(Cl)cccc3Cl)cn2)cc1.CC(C)N(CCO)C(=O)c1cccc(Nc2ncc(NC(=O)c3c(Cl)cccc3Cl)cn2)c1.CC(C)N(CCO)C(=O)c1cccc(Nc2ncc(NC(=O)c3cc(O)ccc3Cl)cn2)c1.CN1CCN(C(=O)c2ccc(Nc3ncc(NC(=O)c4cc(O)ccc4Cl)cn3)cc2)CC1.Cc1c(O)cccc1C(=O)Nc1cnc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nc1.Cc1cccc(C)c1C(=O)Nc1cnc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nc1.O=C(NCCN1CCCC1)c1csc(Nc2ncc(NC(=O)c3cc(O)ccc3Cl)cn2)n1
InChIInChI=1S/C25H28N6O2.C24H26N6O3.2C23H23Cl2N5O3.C23H23ClN6O3.C23H24ClN5O4.C21H22ClN7O3S/c1-17-5-4-6-18(2)22(17)23(32)28-21-15-26-25(27-16-21)29-20-9-7-19(8-10-20)24(33)31-13-11-30(3)12-14-31;1-16-20(4-3-5-21(16)31)22(32)27-19-14-25-24(26-15-19)28-18-8-6-17(7-9-18)23(33)30-12-10-29(2)11-13-30;1-14(2)30(9-10-31)22(33)15-5-3-6-16(11-15)29-23-26-12-17(13-27-23)28-21(32)20-18(24)7-4-8-19(20)25;1-14(2)30(10-11-31)22(33)15-6-8-16(9-7-15)29-23-26-12-17(13-27-23)28-21(32)20-18(24)4-3-5-19(20)25;1-29-8-10-30(11-9-29)22(33)15-2-4-16(5-3-15)28-23-25-13-17(14-26-23)27-21(32)19-12-18(31)6-7-20(19)24;1-14(2)29(8-9-30)22(33)15-4-3-5-16(10-15)28-23-25-12-17(13-26-23)27-21(32)19-11-18(31)6-7-20(19)24;22-16-4-3-14(30)9-15(16)18(31)26-13-10-24-20(25-11-13)28-21-27-17(12-33-21)19(32)23-5-8-29-6-1-2-7-29/h4-10,15-16H,11-14H2,1-3H3,(H,28,32)(H,26,27,29);3-9,14-15,31H,10-13H2,1-2H3,(H,27,32)(H,25,26,28);3-8,11-14,31H,9-10H2,1-2H3,(H,28,32)(H,26,27,29);3-9,12-14,31H,10-11H2,1-2H3,(H,28,32)(H,26,27,29);2-7,12-14,31H,8-11H2,1H3,(H,27,32)(H,25,26,28);3-7,10-14,30-31H,8-9H2,1-2H3,(H,27,32)(H,25,26,28);3-4,9-12,30H,1-2,5-8H2,(H,23,32)(H,26,31)(H,24,25,27,28)
InChIKeyLJIZXSYXHDSWRC-UHFFFAOYSA-N
MW3292.63 g/mol
LogP25.60
Rot. Bonds47

About 2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide

2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide (PubChem CID 159367869) has the molecular formula C162H169Cl7N40O21S and a molecular weight of 3292.63 g/mol. Its IUPAC name is 2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide
PubChem CID159367869
Molecular FormulaC162H169Cl7N40O21S
Molecular Weight3292.63 g/mol
Exact Mass3287.09
IUPAC Name2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide
SMILESCC(C)N(CCO)C(=O)c1ccc(Nc2ncc(NC(=O)c3c(Cl)cccc3Cl)cn2)cc1.CC(C)N(CCO)C(=O)c1cccc(Nc2ncc(NC(=O)c3c(Cl)cccc3Cl)cn2)c1.CC(C)N(CCO)C(=O)c1cccc(Nc2ncc(NC(=O)c3cc(O)ccc3Cl)cn2)c1.CN1CCN(C(=O)c2ccc(Nc3ncc(NC(=O)c4cc(O)ccc4Cl)cn3)cc2)CC1.Cc1c(O)cccc1C(=O)Nc1cnc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nc1.Cc1cccc(C)c1C(=O)Nc1cnc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nc1.O=C(NCCN1CCCC1)c1csc(Nc2ncc(NC(=O)c3cc(O)ccc3Cl)cn2)n1
InChIInChI=1S/C25H28N6O2.C24H26N6O3.2C23H23Cl2N5O3.C23H23ClN6O3.C23H24ClN5O4.C21H22ClN7O3S/c1-17-5-4-6-18(2)22(17)23(32)28-21-15-26-25(27-16-21)29-20-9-7-19(8-10-20)24(33)31-13-11-30(3)12-14-31;1-16-20(4-3-5-21(16)31)22(32)27-19-14-25-24(26-15-19)28-18-8-6-17(7-9-18)23(33)30-12-10-29(2)11-13-30;1-14(2)30(9-10-31)22(33)15-5-3-6-16(11-15)29-23-26-12-17(13-27-23)28-21(32)20-18(24)7-4-8-19(20)25;1-14(2)30(10-11-31)22(33)15-6-8-16(9-7-15)29-23-26-12-17(13-27-23)28-21(32)20-18(24)4-3-5-19(20)25;1-29-8-10-30(11-9-29)22(33)15-2-4-16(5-3-15)28-23-25-13-17(14-26-23)27-21(32)19-12-18(31)6-7-20(19)24;1-14(2)29(8-9-30)22(33)15-4-3-5-16(10-15)28-23-25-12-17(13-26-23)27-21(32)19-11-18(31)6-7-20(19)24;22-16-4-3-14(30)9-15(16)18(31)26-13-10-24-20(25-11-13)28-21-27-17(12-33-21)19(32)23-5-8-29-6-1-2-7-29/h4-10,15-16H,11-14H2,1-3H3,(H,28,32)(H,26,27,29);3-9,14-15,31H,10-13H2,1-2H3,(H,27,32)(H,25,26,28);3-8,11-14,31H,9-10H2,1-2H3,(H,28,32)(H,26,27,29);3-9,12-14,31H,10-11H2,1-2H3,(H,28,32)(H,26,27,29);2-7,12-14,31H,8-11H2,1H3,(H,27,32)(H,25,26,28);3-7,10-14,30-31H,8-9H2,1-2H3,(H,27,32)(H,25,26,28);3-4,9-12,30H,1-2,5-8H2,(H,23,32)(H,26,31)(H,24,25,27,28)
InChIKeyLJIZXSYXHDSWRC-UHFFFAOYSA-N
XLogP25.60
TPSA786.79 Ų
H-Bond Donors22
H-Bond Acceptors48
Rotatable Bonds47
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003292.63
LogP ≤ 525.60
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1048

Analyze 2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide with MolForge

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Related Compounds

2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(piperidine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(piperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide
CID 162134998
2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide
CID 11852008
5-[[5-[(5-hydroxy-2-methylbenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 143297900
2,6-dimethyl-N-[2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]pyrimidin-5-yl]benzamide
CID 11852117
2-chloro-4-hydroxy-N-[2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)anilino]pyrimidin-5-yl]benzamide
CID 11852114
2-[(3,4-dichlorobenzoyl)amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113767
2-chloro-5-[(3-methylbenzoyl)amino]-N-[2-[4-(3-pyrrolidin-1-ylpropylsulfanyl)anilino]pyrimidin-5-yl]benzamide
CID 143609709
2-[[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 59837707
2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840
2-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 118713268
4-[[5-[2-(2-bromo-5-hydroxyphenyl)-2-oxoethyl]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 58455626
6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 10006987

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide?
The IUPAC name of 2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide (CID 159367869) is 2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide?
The canonical SMILES for 2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide is CC(C)N(CCO)C(=O)c1ccc(Nc2ncc(NC(=O)c3c(Cl)cccc3Cl)cn2)cc1.CC(C)N(CCO)C(=O)c1cccc(Nc2ncc(NC(=O)c3c(Cl)cccc3Cl)cn2)c1.CC(C)N(CCO)C(=O)c1cccc(Nc2ncc(NC(=O)c3cc(O)ccc3Cl)cn2)c1.CN1CCN(C(=O)c2ccc(Nc3ncc(NC(=O)c4cc(O)ccc4Cl)cn3)cc2)CC1.Cc1c(O)cccc1C(=O)Nc1cnc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nc1.Cc1cccc(C)c1C(=O)Nc1cnc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nc1.O=C(NCCN1CCCC1)c1csc(Nc2ncc(NC(=O)c3cc(O)ccc3Cl)cn2)n1.
What is the InChIKey of 2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide?
The InChIKey is LJIZXSYXHDSWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2.C24H26N6O3.2C23H23Cl2N5O3.C23H23ClN6O3.C23H24ClN5O4.C21H22ClN7O3S/c1-17-5-4-6-18(2)22(17)23(32)28-21-15-26-25(27-16-21)29-20-9-7-19(8-10-20)24(33)31-13-11-30(3)12-14-31;1-16-20(4-3-5-21(16)31)22(32)27-19-14-25-24(26-15-19)28-18-8-6-17(7-9-18)23(33)30-12-10-29(2)11-13-30;1-14(2)30(9-10-31)22(33)15-5-3-6-16(11-15)29-23-26-12-17(13-27-23)28-21(32)20-18(24)7-4-8-19(20)25;1-14(2)30(10-11-31)22(33)15-6-8-16(9-7-15)29-23-26-12-17(13-27-23)28-21(32)20-18(24)4-3-5-19(20)25;1-29-8-10-30(11-9-29)22(33)15-2-4-16(5-3-15)28-23-25-13-17(14-26-23)27-21(32)19-12-18(31)6-7-20(19)24;1-14(2)29(8-9-30)22(33)15-4-3-5-16(10-15)28-23-25-12-17(13-26-23)27-21(32)19-11-18(31)6-7-20(19)24;22-16-4-3-14(30)9-15(16)18(31)26-13-10-24-20(25-11-13)28-21-27-17(12-33-21)19(32)23-5-8-29-6-1-2-7-29/h4-10,15-16H,11-14H2,1-3H3,(H,28,32)(H,26,27,29);3-9,14-15,31H,10-13H2,1-2H3,(H,27,32)(H,25,26,28);3-8,11-14,31H,9-10H2,1-2H3,(H,28,32)(H,26,27,29);3-9,12-14,31H,10-11H2,1-2H3,(H,28,32)(H,26,27,29);2-7,12-14,31H,8-11H2,1H3,(H,27,32)(H,25,26,28);3-7,10-14,30-31H,8-9H2,1-2H3,(H,27,32)(H,25,26,28);3-4,9-12,30H,1-2,5-8H2,(H,23,32)(H,26,31)(H,24,25,27,28).
What are the key properties of 2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide?
2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide has a molecular weight of 3292.63 g/mol, XLogP of 25.60, 47 rotatable bonds, 22 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-chloro-5-hydroxybenzoyl)amino]pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide;2-chloro-5-hydroxy-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[3-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dichloro-N-[2-[4-[2-hydroxyethyl(propan-2-yl)carbamoyl]anilino]pyrimidin-5-yl]benzamide;2,6-dimethyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide;3-hydroxy-2-methyl-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 159367869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).