(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one

C142H116Cl6F15N27O18S3 — CID 159079715

About (3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one

(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one (PubChem CID 159079715) has the molecular formula C142H116Cl6F15N27O18S3 and a molecular weight of 3082.55 g/mol. Its IUPAC name is (3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one.

Molecular Properties

• Compound Name: (3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one
• PubChem CID: 159079715
• Molecular Formula: C142H116Cl6F15N27O18S3
• Molecular Weight: 3082.55 g/mol
• Exact Mass: 3077.60
• IUPAC Name: (3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one
• SMILES: CC(CC(=O)c1ncnc(C#CCCCO)c1Cl)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.C[C@@H](CC(=O)c1cc(C#CCCO)ncn1)c1cc(C2=Nc3cnc(C(C)(C)C)nc3C2)no1.C[C@@H](CC(=O)c1ncnc(C#CCCCO)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@H](CC(=O)c1cc(C#CCCO)ncn1)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1.O=C(CCc1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1)c1cc(C#CCCO)ncn1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc(CCC(=O)c2ncnc(C#CCCCO)c2Cl)s1
• InChI: InChI=1S/C25H26N6O3.C24H19Cl2F3N4O3S.C24H19F3N4O3.C23H18Cl2F3N5O3S.C23H17Cl2F3N4O3S.C23H17F3N4O3/c1-15(9-22(33)20-10-16(27-14-28-20)7-5-6-8-32)23-12-19(31-34-23)17-11-18-21(29-17)13-26-24(30-18)25(2,3)4;1-13(9-18(35)21-20(26)17(31-12-32-21)5-3-2-4-8-34)23-30-11-19(37-23)22(36)33-14-6-7-16(25)15(10-14)24(27,28)29;1-14(8-22(33)20-11-17(28-13-29-20)4-2-3-7-32)19-12-23(34-31-19)21-10-15-9-16(24(25,26)27)5-6-18(15)30-21;1-12(7-16(35)20-19(25)15(31-11-32-20)5-3-2-4-6-34)22-30-10-17(37-22)21(36)33-18-8-13(23(26,27)28)14(24)9-29-18;24-15-6-5-13(10-14(15)23(26,27)28)32-22(35)18-11-29-19(36-18)8-7-17(34)21-20(25)16(30-12-31-21)4-2-1-3-9-33;24-23(25,26)15-4-6-18-14(9-15)10-20(29-18)22-12-17(30-33-22)5-7-21(32)19-11-16(27-13-28-19)3-1-2-8-31/h10,12-15,32H,6,8-9,11H2,1-4H3;6-7,10-13,34H,2,4,8-9H2,1H3,(H,33,36);5-6,9,11-14,32H,3,7-8,10H2,1H3;8-12,34H,2,4,6-7H2,1H3,(H,29,33,36);5-6,10-12,33H,1,3,7-9H2,(H,32,35);4,6,9,11-13,31H,2,5,7-8,10H2/t15-;;14-;12-;;/m0.10../s1
• InChIKey: KARVXXSHFAWWQT-BULVPZDJSA-N
• XLogP: 28.19
• TPSA: 658.29 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 45
• Rotatable Bonds: 42
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3082.55
LogP ≤ 5	28.19
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one?

The IUPAC name of (3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one (CID 159079715) is (3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one.

What is the SMILES notation for (3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one?

The canonical SMILES for (3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one is CC(CC(=O)c1ncnc(C#CCCCO)c1Cl)c1ncc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1.C[C@@H](CC(=O)c1cc(C#CCCO)ncn1)c1cc(C2=Nc3cnc(C(C)(C)C)nc3C2)no1.C[C@@H](CC(=O)c1ncnc(C#CCCCO)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.C[C@H](CC(=O)c1cc(C#CCCO)ncn1)c1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1.O=C(CCc1cc(C2=Nc3ccc(C(F)(F)F)cc3C2)on1)c1cc(C#CCCO)ncn1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc(CCC(=O)c2ncnc(C#CCCCO)c2Cl)s1.

What is the InChIKey of (3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one?

The InChIKey is KARVXXSHFAWWQT-BULVPZDJSA-N. The full InChI is InChI=1S/C25H26N6O3.C24H19Cl2F3N4O3S.C24H19F3N4O3.C23H18Cl2F3N5O3S.C23H17Cl2F3N4O3S.C23H17F3N4O3/c1-15(9-22(33)20-10-16(27-14-28-20)7-5-6-8-32)23-12-19(31-34-23)17-11-18-21(29-17)13-26-24(30-18)25(2,3)4;1-13(9-18(35)21-20(26)17(31-12-32-21)5-3-2-4-8-34)23-30-11-19(37-23)22(36)33-14-6-7-16(25)15(10-14)24(27,28)29;1-14(8-22(33)20-11-17(28-13-29-20)4-2-3-7-32)19-12-23(34-31-19)21-10-15-9-16(24(25,26)27)5-6-18(15)30-21;1-12(7-16(35)20-19(25)15(31-11-32-20)5-3-2-4-6-34)22-30-10-17(37-22)21(36)33-18-8-13(23(26,27)28)14(24)9-29-18;24-15-6-5-13(10-14(15)23(26,27)28)32-22(35)18-11-29-19(36-18)8-7-17(34)21-20(25)16(30-12-31-21)4-2-1-3-9-33;24-23(25,26)15-4-6-18-14(9-15)10-20(29-18)22-12-17(30-33-22)5-7-21(32)19-11-16(27-13-28-19)3-1-2-8-31/h10,12-15,32H,6,8-9,11H2,1-4H3;6-7,10-13,34H,2,4,8-9H2,1H3,(H,33,36);5-6,9,11-14,32H,3,7-8,10H2,1H3;8-12,34H,2,4,6-7H2,1H3,(H,29,33,36);5-6,10-12,33H,1,3,7-9H2,(H,32,35);4,6,9,11-13,31H,2,5,7-8,10H2/t15-;;14-;12-;;/m0.10../s1.

What are the key properties of (3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one?

(3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one has a molecular weight of 3082.55 g/mol, XLogP of 28.19, 42 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[3-(2-tert-butyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]butan-1-one;2-[4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-[(2S)-4-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;2-[3-[5-chloro-6-(5-hydroxypent-1-ynyl)pyrimidin-4-yl]-3-oxopropyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;(3R)-1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butan-1-one;1-[6-(4-hydroxybut-1-ynyl)pyrimidin-4-yl]-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]propan-1-one is sourced from PubChem (CID 159079715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).