2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide

C176H180Cl2F18N44O18S2 — CID 158867434

About 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide

2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 158867434) has the molecular formula C176H180Cl2F18N44O18S2 and a molecular weight of 3676.67 g/mol. Its IUPAC name is 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
• PubChem CID: 158867434
• Molecular Formula: C176H180Cl2F18N44O18S2
• Molecular Weight: 3676.67 g/mol
• Exact Mass: 3673.31
• IUPAC Name: 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
• SMILES: CC(CC(=O)c1cc(C#CCN2CCN(C)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(=O)N3CCOCC3)cc(C(F)(F)F)c2)s1.C[C@@H](CC(=O)c1ncnc(N)c1CN1CCCC1)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1.C[C@@H](CC(=O)c1ncnc(N)c1CN1CCCC1)c1cc(C2=Nc3ccc(C4(C)CC4)nc3C2)no1.C[C@H](CC(=O)c1ncnc(N)c1CN1CCCC1)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)no1.Cc1ccc(NC(=O)c2cc(CCC(=O)c3ncnc(N)c3CN3CCCC3)no2)cc1C(F)(F)F.Cc1ccc(NC(=O)c2cc([C@H](C)CC(=O)c3ncnc(N)c3CN3CCCC3)no2)cc1C(F)(F)F
• InChI: InChI=1S/C27H31N7O2.C26H25ClF3N7O2S.C25H27F3N6O3.2C25H25F3N6O2.C24H22ClF3N6O4S.C24H25F3N6O3/c1-16(11-22(35)25-17(26(28)30-15-29-25)14-34-9-3-4-10-34)23-13-21(33-36-23)20-12-19-18(31-20)5-6-24(32-19)27(2)7-8-27;1-16(10-21(38)20-11-17(33-15-34-20)4-3-5-37-8-6-36(2)7-9-37)25-32-14-22(40-25)24(39)35-23-12-18(26(28,29)30)19(27)13-31-23;1-14-5-6-16(10-18(14)25(26,27)28)32-24(36)21-11-19(33-37-21)15(2)9-20(35)22-17(23(29)31-13-30-22)12-34-7-3-4-8-34;1-14(8-21(35)23-17(24(29)31-13-30-23)12-34-6-2-3-7-34)19-11-22(36-33-19)20-10-15-9-16(25(26,27)28)4-5-18(15)32-20;1-14(8-21(35)23-17(24(29)31-13-30-23)12-34-6-2-3-7-34)22-11-20(33-36-22)19-10-15-9-16(25(26,27)28)4-5-18(15)32-19;1-12(6-16(35)19-18(25)20(29)32-11-31-19)22-30-10-17(39-22)21(36)33-15-8-13(7-14(9-15)24(26,27)28)23(37)34-2-4-38-5-3-34;1-14-4-5-15(10-18(14)24(25,26)27)31-23(35)20-11-16(32-36-20)6-7-19(34)21-17(22(28)30-13-29-21)12-33-8-2-3-9-33/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H2,28,29,30);11-16H,5-10H2,1-2H3,(H,31,35,39);5-6,10-11,13,15H,3-4,7-9,12H2,1-2H3,(H,32,36)(H2,29,30,31);2*4-5,9,11,13-14H,2-3,6-8,10,12H2,1H3,(H2,29,30,31);7-12H,2-6H2,1H3,(H,33,36)(H2,29,31,32);4-5,10-11,13H,2-3,6-9,12H2,1H3,(H,31,35)(H2,28,29,30)/t16-;;15-;2*14-;;/m0.101../s1
• InChIKey: JBKMNEOOOGTCJX-YMJLFEONSA-N
• XLogP: 30.73
• TPSA: 843.48 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 59
• Rotatable Bonds: 52
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3676.67
LogP ≤ 5	30.73
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide (CID 158867434) is 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide is CC(CC(=O)c1cc(C#CCN2CCN(C)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.CC(CC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(=O)N3CCOCC3)cc(C(F)(F)F)c2)s1.C[C@@H](CC(=O)c1ncnc(N)c1CN1CCCC1)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1.C[C@@H](CC(=O)c1ncnc(N)c1CN1CCCC1)c1cc(C2=Nc3ccc(C4(C)CC4)nc3C2)no1.C[C@H](CC(=O)c1ncnc(N)c1CN1CCCC1)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)no1.Cc1ccc(NC(=O)c2cc(CCC(=O)c3ncnc(N)c3CN3CCCC3)no2)cc1C(F)(F)F.Cc1ccc(NC(=O)c2cc([C@H](C)CC(=O)c3ncnc(N)c3CN3CCCC3)no2)cc1C(F)(F)F.

What is the InChIKey of 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?

The InChIKey is JBKMNEOOOGTCJX-YMJLFEONSA-N. The full InChI is InChI=1S/C27H31N7O2.C26H25ClF3N7O2S.C25H27F3N6O3.2C25H25F3N6O2.C24H22ClF3N6O4S.C24H25F3N6O3/c1-16(11-22(35)25-17(26(28)30-15-29-25)14-34-9-3-4-10-34)23-13-21(33-36-23)20-12-19-18(31-20)5-6-24(32-19)27(2)7-8-27;1-16(10-21(38)20-11-17(33-15-34-20)4-3-5-37-8-6-36(2)7-9-37)25-32-14-22(40-25)24(39)35-23-12-18(26(28,29)30)19(27)13-31-23;1-14-5-6-16(10-18(14)25(26,27)28)32-24(36)21-11-19(33-37-21)15(2)9-20(35)22-17(23(29)31-13-30-22)12-34-7-3-4-8-34;1-14(8-21(35)23-17(24(29)31-13-30-23)12-34-6-2-3-7-34)19-11-22(36-33-19)20-10-15-9-16(25(26,27)28)4-5-18(15)32-20;1-14(8-21(35)23-17(24(29)31-13-30-23)12-34-6-2-3-7-34)22-11-20(33-36-22)19-10-15-9-16(25(26,27)28)4-5-18(15)32-19;1-12(6-16(35)19-18(25)20(29)32-11-31-19)22-30-10-17(39-22)21(36)33-15-8-13(7-14(9-15)24(26,27)28)23(37)34-2-4-38-5-3-34;1-14-4-5-15(10-18(14)24(25,26)27)31-23(35)20-11-16(32-36-20)6-7-19(34)21-17(22(28)30-13-29-21)12-33-8-2-3-9-33/h5-6,13,15-16H,3-4,7-12,14H2,1-2H3,(H2,28,29,30);11-16H,5-10H2,1-2H3,(H,31,35,39);5-6,10-11,13,15H,3-4,7-9,12H2,1-2H3,(H,32,36)(H2,29,30,31);2*4-5,9,11,13-14H,2-3,6-8,10,12H2,1H3,(H2,29,30,31);7-12H,2-6H2,1H3,(H,33,36)(H2,29,31,32);4-5,10-11,13H,2-3,6-9,12H2,1H3,(H,31,35)(H2,28,29,30)/t16-;;15-;2*14-;;/m0.101../s1.

What are the key properties of 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide?

2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 3676.67 g/mol, XLogP of 30.73, 52 rotatable bonds, 10 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6-amino-5-chloropyrimidin-4-yl)-4-oxobutan-2-yl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(1-methylcyclopropyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butan-1-one;3-[(2R)-4-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[3-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide;(3R)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butan-1-one;(3S)-1-[6-amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[4-[6-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158867434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).