5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate

C₁₁₆H₁₁₀Br₂N₃₀O₁₄ — CID 158870439

About 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate

5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate (PubChem CID 158870439) has the molecular formula C₁₁₆H₁₁₀Br₂N₃₀O₁₄ and a molecular weight of 2308.16 g/mol. Its IUPAC name is 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate
• PubChem CID: 158870439
• Molecular Formula: C₁₁₆H₁₁₀Br₂N₃₀O₁₄
• Molecular Weight: 2308.16 g/mol
• Exact Mass: 2304.72
• IUPAC Name: 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate
• SMILES: COC(=O)C1CCC(c2cc(N)n3ncc(-c4ccn(C)c4)c3n2)CN1C(=O)OCc1ccccc1.COC(=O)C1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CN1.COC(=O)c1ccc(-c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)cn1.Cn1ccc(-c2cnn3c(N)cc(C4CCC(C(=O)O)N(C(=O)OCc5ccccc5)C4)nc23)c1.Nc1c(Br)c(C2CCC(C(=O)O)NC2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C26H28N6O4.C25H26N6O4.C22H21BrN6O2.C22H16N6O2.C21H19BrN6O2/c1-30-11-10-18(14-30)20-13-28-32-23(27)12-21(29-24(20)32)19-8-9-22(25(33)35-2)31(15-19)26(34)36-16-17-6-4-3-5-7-17;1-29-10-9-17(13-29)19-12-27-31-22(26)11-20(28-23(19)31)18-7-8-21(24(32)33)30(14-18)25(34)35-15-16-5-3-2-4-6-16;1-31-22(30)17-7-6-13(9-26-17)19-18(23)20(24)29-21(28-19)15(11-27-29)14-8-12-4-2-3-5-16(12)25-10-14;1-30-22(29)18-7-6-14(10-25-18)19-9-20(23)28-21(27-19)16(12-26-28)15-8-13-4-2-3-5-17(13)24-11-15;22-17-18(12-5-6-16(21(29)30)25-8-12)27-20-14(10-26-28(20)19(17)23)13-7-11-3-1-2-4-15(11)24-9-13/h3-7,10-14,19,22H,8-9,15-16,27H2,1-2H3;2-6,9-13,18,21H,7-8,14-15,26H2,1H3,(H,32,33);2-5,8,10-11,13,17,26H,6-7,9,24H2,1H3;2-12H,23H2,1H3;1-4,7,9-10,12,16,25H,5-6,8,23H2,(H,29,30)
• InChIKey: JBTRKWJFGWCYEV-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 579.11 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 19
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2308.16
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate?

The IUPAC name of 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate (CID 158870439) is 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate.

What is the SMILES notation for 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate?

The canonical SMILES for 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate is COC(=O)C1CCC(c2cc(N)n3ncc(-c4ccn(C)c4)c3n2)CN1C(=O)OCc1ccccc1.COC(=O)C1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CN1.COC(=O)c1ccc(-c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)cn1.Cn1ccc(-c2cnn3c(N)cc(C4CCC(C(=O)O)N(C(=O)OCc5ccccc5)C4)nc23)c1.Nc1c(Br)c(C2CCC(C(=O)O)NC2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate?

The InChIKey is JBTRKWJFGWCYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4.C25H26N6O4.C22H21BrN6O2.C22H16N6O2.C21H19BrN6O2/c1-30-11-10-18(14-30)20-13-28-32-23(27)12-21(29-24(20)32)19-8-9-22(25(33)35-2)31(15-19)26(34)36-16-17-6-4-3-5-7-17;1-29-10-9-17(13-29)19-12-27-31-22(26)11-20(28-23(19)31)18-7-8-21(24(32)33)30(14-18)25(34)35-15-16-5-3-2-4-6-16;1-31-22(30)17-7-6-13(9-26-17)19-18(23)20(24)29-21(28-19)15(11-27-29)14-8-12-4-2-3-5-16(12)25-10-14;1-30-22(29)18-7-6-14(10-25-18)19-9-20(23)28-21(27-19)16(12-26-28)15-8-13-4-2-3-5-17(13)24-11-15;22-17-18(12-5-6-16(21(29)30)25-8-12)27-20-14(10-26-28(20)19(17)23)13-7-11-3-1-2-4-15(11)24-9-13/h3-7,10-14,19,22H,8-9,15-16,27H2,1-2H3;2-6,9-13,18,21H,7-8,14-15,26H2,1H3,(H,32,33);2-5,8,10-11,13,17,26H,6-7,9,24H2,1H3;2-12H,23H2,1H3;1-4,7,9-10,12,16,25H,5-6,8,23H2,(H,29,30).

What are the key properties of 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate?

5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate has a molecular weight of 2308.16 g/mol, XLogP of 16.54, 19 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid;1-O-benzyl 2-O-methyl 5-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylate;methyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate;methyl 5-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridine-2-carboxylate is sourced from PubChem (CID 158870439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158870439 — identifiers, structure, computed properties (public domain)

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