N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide

C₁₀₆H₁₀₄Br₅N₃₃O₁₀S — CID 158566139

About N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide

N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 158566139) has the molecular formula C₁₀₆H₁₀₄Br₅N₃₃O₁₀S and a molecular weight of 2431.81 g/mol. Its IUPAC name is N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide
• PubChem CID: 158566139
• Molecular Formula: C₁₀₆H₁₀₄Br₅N₃₃O₁₀S
• Molecular Weight: 2431.81 g/mol
• Exact Mass: 2425.43
• IUPAC Name: N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide
• SMILES: Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)C(C)(C)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)CS(C)(=O)=O)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@H](C)O)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)c5ncn[nH]5)nc34)cc2c1
• InChI: InChI=1S/C23H25BrN6O2.C21H18BrN9O.C21H21BrN6O3S.C21H21BrN6O2.C20H19BrN6O2/c1-12-5-6-17-14(7-12)8-15(9-26-17)16-10-27-30-20(25)18(24)19(29-21(16)30)13(2)28-22(32)23(3,4)11-31;1-10-3-4-15-12(5-10)6-13(7-24-15)14-8-27-31-18(23)16(22)17(29-20(14)31)11(2)28-21(32)19-25-9-26-30-19;1-11-4-5-16-13(6-11)7-14(8-24-16)15-9-25-28-20(23)18(22)19(27-21(15)28)12(2)26-17(29)10-32(3,30)31;1-10-4-5-16-13(6-10)7-14(8-24-16)15-9-25-28-19(23)17(22)18(27-20(15)28)11(2)26-21(30)12(3)29;1-10-3-4-15-12(5-10)6-13(7-23-15)14-8-24-27-19(22)17(21)18(26-20(14)27)11(2)25-16(29)9-28/h5-10,13,31H,11,25H2,1-4H3,(H,28,32);3-9,11H,23H2,1-2H3,(H,28,32)(H,25,26,30);4-9,12H,10,23H2,1-3H3,(H,26,29);4-9,11-12,29H,23H2,1-3H3,(H,26,30);3-8,11,28H,9,22H2,1-2H3,(H,25,29)/t;;;11?,12-;/m...0./s1
• InChIKey: HRMPBMQPPREREA-UUQIFGHVSA-N
• XLogP: 15.74
• TPSA: 627.40 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2431.81
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide?

The IUPAC name of N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide (CID 158566139) is N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide.

What is the SMILES notation for N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide?

The canonical SMILES for N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide is Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)C(C)(C)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)CO)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)CS(C)(=O)=O)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)[C@H](C)O)nc34)cc2c1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)c5ncn[nH]5)nc34)cc2c1.

What is the InChIKey of N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide?

The InChIKey is HRMPBMQPPREREA-UUQIFGHVSA-N. The full InChI is InChI=1S/C23H25BrN6O2.C21H18BrN9O.C21H21BrN6O3S.C21H21BrN6O2.C20H19BrN6O2/c1-12-5-6-17-14(7-12)8-15(9-26-17)16-10-27-30-20(25)18(24)19(29-21(16)30)13(2)28-22(32)23(3,4)11-31;1-10-3-4-15-12(5-10)6-13(7-24-15)14-8-27-31-18(23)16(22)17(29-20(14)31)11(2)28-21(32)19-25-9-26-30-19;1-11-4-5-16-13(6-11)7-14(8-24-16)15-9-25-28-20(23)18(22)19(27-21(15)28)12(2)26-17(29)10-32(3,30)31;1-10-4-5-16-13(6-10)7-14(8-24-16)15-9-25-28-19(23)17(22)18(27-20(15)28)11(2)26-21(30)12(3)29;1-10-3-4-15-12(5-10)6-13(7-23-15)14-8-24-27-19(22)17(21)18(26-20(14)27)11(2)25-16(29)9-28/h5-10,13,31H,11,25H2,1-4H3,(H,28,32);3-9,11H,23H2,1-2H3,(H,28,32)(H,25,26,30);4-9,12H,10,23H2,1-3H3,(H,26,29);4-9,11-12,29H,23H2,1-3H3,(H,26,30);3-8,11,28H,9,22H2,1-2H3,(H,25,29)/t;;;11?,12-;/m...0./s1.

What are the key properties of N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide?

N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 2431.81 g/mol, XLogP of 15.74, 22 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxyacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2,2-dimethylpropanamide;(2S)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-hydroxypropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-methylsulfonylacetamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 158566139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158566139 — identifiers, structure, computed properties (public domain)

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