N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide

C145H143Cl5F3N43O8S7 — CID 158361434

IUPACN-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide
SMILESCCOC1CN(c2cc(Nc3cc(C)[nH]n3)nc(Sc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)C1.Cc1cc(Nc2cc(N3CC(C)C3)nc(Sc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CC(OC(C)C)C3)nc(Sc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)CC(F)(F)F)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)c4sc(C)nc4C)cc3)n2)n[nH]1
InChIInChI=1S/C27H28ClN7O2S.C26H26ClN7O2S.C25H24ClN7OS.C24H21Cl2N7OS.C23H24N8OS2.C20H20F3N7OS/c1-16(2)37-19-14-35(15-19)25-13-23(30-24-12-17(3)33-34-24)31-27(32-25)38-20-10-8-18(9-11-20)29-26(36)21-6-4-5-7-22(21)28;1-3-36-18-14-34(15-18)24-13-22(29-23-12-16(2)32-33-23)30-26(31-24)37-19-10-8-17(9-11-19)28-25(35)20-6-4-5-7-21(20)27;1-15-13-33(14-15)23-12-21(28-22-11-16(2)31-32-22)29-25(30-23)35-18-9-7-17(8-10-18)27-24(34)19-5-3-4-6-20(19)26;1-14-12-20(32-31-14)28-19-13-21(33-10-3-11-33)30-24(29-19)35-16-8-6-15(7-9-16)27-23(34)17-4-2-5-18(25)22(17)26;1-13-11-19(30-29-13)26-18-12-20(31-9-4-10-31)28-23(27-18)34-17-7-5-16(6-8-17)25-22(32)21-14(2)24-15(3)33-21;1-12-9-16(29-28-12)25-15-10-17(30-7-2-8-30)27-19(26-15)32-14-5-3-13(4-6-14)24-18(31)11-20(21,22)23/h4-13,16,19H,14-15H2,1-3H3,(H,29,36)(H2,30,31,32,33,34);4-13,18H,3,14-15H2,1-2H3,(H,28,35)(H2,29,30,31,32,33);3-12,15H,13-14H2,1-2H3,(H,27,34)(H2,28,29,30,31,32);2,4-9,12-13H,3,10-11H2,1H3,(H,27,34)(H2,28,29,30,31,32);5-8,11-12H,4,9-10H2,1-3H3,(H,25,32)(H2,26,27,28,29,30);3-6,9-10H,2,7-8,11H2,1H3,(H,24,31)(H2,25,26,27,28,29)
InChIKeyGTNALDOJMJPUNN-UHFFFAOYSA-N
MW3074.76 g/mol
LogP32.84
Rot. Bonds46

About N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide

N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide (PubChem CID 158361434) has the molecular formula C145H143Cl5F3N43O8S7 and a molecular weight of 3074.76 g/mol. Its IUPAC name is N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide
PubChem CID158361434
Molecular FormulaC145H143Cl5F3N43O8S7
Molecular Weight3074.76 g/mol
Exact Mass3069.85
IUPAC NameN-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide
SMILESCCOC1CN(c2cc(Nc3cc(C)[nH]n3)nc(Sc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)C1.Cc1cc(Nc2cc(N3CC(C)C3)nc(Sc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CC(OC(C)C)C3)nc(Sc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)CC(F)(F)F)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)c4sc(C)nc4C)cc3)n2)n[nH]1
InChIInChI=1S/C27H28ClN7O2S.C26H26ClN7O2S.C25H24ClN7OS.C24H21Cl2N7OS.C23H24N8OS2.C20H20F3N7OS/c1-16(2)37-19-14-35(15-19)25-13-23(30-24-12-17(3)33-34-24)31-27(32-25)38-20-10-8-18(9-11-20)29-26(36)21-6-4-5-7-22(21)28;1-3-36-18-14-34(15-18)24-13-22(29-23-12-16(2)32-33-23)30-26(31-24)37-19-10-8-17(9-11-19)28-25(35)20-6-4-5-7-21(20)27;1-15-13-33(14-15)23-12-21(28-22-11-16(2)31-32-22)29-25(30-23)35-18-9-7-17(8-10-18)27-24(34)19-5-3-4-6-20(19)26;1-14-12-20(32-31-14)28-19-13-21(33-10-3-11-33)30-24(29-19)35-16-8-6-15(7-9-16)27-23(34)17-4-2-5-18(25)22(17)26;1-13-11-19(30-29-13)26-18-12-20(31-9-4-10-31)28-23(27-18)34-17-7-5-16(6-8-17)25-22(32)21-14(2)24-15(3)33-21;1-12-9-16(29-28-12)25-15-10-17(30-7-2-8-30)27-19(26-15)32-14-5-3-13(4-6-14)24-18(31)11-20(21,22)23/h4-13,16,19H,14-15H2,1-3H3,(H,29,36)(H2,30,31,32,33,34);4-13,18H,3,14-15H2,1-2H3,(H,28,35)(H2,29,30,31,32,33);3-12,15H,13-14H2,1-2H3,(H,27,34)(H2,28,29,30,31,32);2,4-9,12-13H,3,10-11H2,1H3,(H,27,34)(H2,28,29,30,31,32);5-8,11-12H,4,9-10H2,1-3H3,(H,25,32)(H2,26,27,28,29,30);3-6,9-10H,2,7-8,11H2,1H3,(H,24,31)(H2,25,26,27,28,29)
InChIKeyGTNALDOJMJPUNN-UHFFFAOYSA-N
XLogP32.84
TPSA624.33 Ų
H-Bond Donors18
H-Bond Acceptors46
Rotatable Bonds46
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003074.76
LogP ≤ 532.84
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1046

Analyze N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[4-(azetidin-1-yl)-5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-chlorobenzamide;(2R)-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-propan-2-ylpyrrolidine-2-carboxamide;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158428978
2-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-(2,3-dichlorophenyl)ethanone;2-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone;1-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-4,4,4-trifluorobutan-2-one;1-(2-chlorophenyl)-2-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-(2-chlorophenyl)-2-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;1-(2-chlorophenyl)-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone
CID 160485405
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,6-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;2-[4-[4-(azetidin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-(3-chloro-2-fluorophenyl)ethanone;2-[4-[4-(azetidin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-(3-chlorophenyl)ethanone;2-[4-[4-(azetidin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 161791968
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3-chlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3-chloro-2-fluorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,6-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide
CID 162260490
1-[2-(azetidin-1-yl)-6-fluorophenyl]-2-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,6-difluoro-N-methylbenzamide;2-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-(2,6-difluorophenyl)ethanone;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-fluoro-N-methylbenzamide;2-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-(2-fluorophenyl)ethanone;1-(2-chlorophenyl)-2-[4-[4-(3-methoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]ethanone
CID 157062883
N-[4-[4-(3-aminoazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-chlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-methylpyrrolidine-2-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[4-[3-(dimethylamino)azetidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[4-(3-hydroxyazetidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 157329873
N-[4-[4-(azetidin-1-yl)-6-[[(Z)-1,3-diamino-3-cyclopropylprop-2-enylidene]amino]pyrimidin-2-yl]sulfanylphenyl]-2-chlorobenzamide;2-chloro-N-[4-[4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;N-[4-[4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide;molecular hydrogen
CID 157546491
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-chlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,6-difluorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-fluorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-methylbenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 157679129
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3-chlorobenzamide;2-chloro-N-[4-[4-(3-methoxy-3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;molecular hydrogen
CID 157686393
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3-chlorothiophene-2-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,6-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-difluorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,5-difluorobenzamide
CID 157992778
N-[4-[4-(azetidin-1-yl)-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-chlorobenzamide;2-chloro-N-[4-[4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;N-[4-[4-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide;molecular hydrogen
CID 158266389
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-chlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,6-difluorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-fluorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-methylbenzamide;2-[4-[4-(azetidin-1-yl)-6-[(3-methyl-2H-pyrrol-5-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-(3-methylphenyl)ethanone
CID 158518932

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide?
The IUPAC name of N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide (CID 158361434) is N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide.
What is the SMILES notation for N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide?
The canonical SMILES for N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide is CCOC1CN(c2cc(Nc3cc(C)[nH]n3)nc(Sc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)C1.Cc1cc(Nc2cc(N3CC(C)C3)nc(Sc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CC(OC(C)C)C3)nc(Sc3ccc(NC(=O)c4ccccc4Cl)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)CC(F)(F)F)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCC3)nc(Sc3ccc(NC(=O)c4sc(C)nc4C)cc3)n2)n[nH]1.
What is the InChIKey of N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide?
The InChIKey is GTNALDOJMJPUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN7O2S.C26H26ClN7O2S.C25H24ClN7OS.C24H21Cl2N7OS.C23H24N8OS2.C20H20F3N7OS/c1-16(2)37-19-14-35(15-19)25-13-23(30-24-12-17(3)33-34-24)31-27(32-25)38-20-10-8-18(9-11-20)29-26(36)21-6-4-5-7-22(21)28;1-3-36-18-14-34(15-18)24-13-22(29-23-12-16(2)32-33-23)30-26(31-24)37-19-10-8-17(9-11-19)28-25(35)20-6-4-5-7-21(20)27;1-15-13-33(14-15)23-12-21(28-22-11-16(2)31-32-22)29-25(30-23)35-18-9-7-17(8-10-18)27-24(34)19-5-3-4-6-20(19)26;1-14-12-20(32-31-14)28-19-13-21(33-10-3-11-33)30-24(29-19)35-16-8-6-15(7-9-16)27-23(34)17-4-2-5-18(25)22(17)26;1-13-11-19(30-29-13)26-18-12-20(31-9-4-10-31)28-23(27-18)34-17-7-5-16(6-8-17)25-22(32)21-14(2)24-15(3)33-21;1-12-9-16(29-28-12)25-15-10-17(30-7-2-8-30)27-19(26-15)32-14-5-3-13(4-6-14)24-18(31)11-20(21,22)23/h4-13,16,19H,14-15H2,1-3H3,(H,29,36)(H2,30,31,32,33,34);4-13,18H,3,14-15H2,1-2H3,(H,28,35)(H2,29,30,31,32,33);3-12,15H,13-14H2,1-2H3,(H,27,34)(H2,28,29,30,31,32);2,4-9,12-13H,3,10-11H2,1H3,(H,27,34)(H2,28,29,30,31,32);5-8,11-12H,4,9-10H2,1-3H3,(H,25,32)(H2,26,27,28,29,30);3-6,9-10H,2,7-8,11H2,1H3,(H,24,31)(H2,25,26,27,28,29).
What are the key properties of N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide?
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide has a molecular weight of 3074.76 g/mol, XLogP of 32.84, 46 rotatable bonds, 18 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,3-dichlorobenzamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;2-chloro-N-[4-[4-(3-ethoxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-(3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;2-chloro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-yloxyazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]benzamide is sourced from PubChem (CID 158361434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).