5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate

C₁₁₇H₁₁₀Br₅N₃₅O₁₃S — CID 158467469

About 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate

5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate (PubChem CID 158467469) has the molecular formula C₁₁₇H₁₁₀Br₅N₃₅O₁₃S and a molecular weight of 2645.99 g/mol. Its IUPAC name is 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate.

Molecular Properties

• Compound Name: 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
• PubChem CID: 158467469
• Molecular Formula: C₁₁₇H₁₁₀Br₅N₃₅O₁₃S
• Molecular Weight: 2645.99 g/mol
• Exact Mass: 2639.47
• IUPAC Name: 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
• SMILES: CCOC(=O)C1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CN1.COCC(=O)N1CC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CCC1C(=O)O.Cc1cc(C(=O)N2CC(c3nc4c(-c5cnc6ccccc6c5)cnn4c(N)c3Br)CCC2C(=O)O)no1.Cn1ccc(-c2cnn3c(N)c(Br)c(N4CCC(Cc5nn[nH]n5)CC4)nc23)c1.Nc1c(Br)c(C2CCC(C(=O)O)N(C(=O)c3cccs3)C2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C26H22BrN7O4.C26H21BrN6O3S.C24H23BrN6O4.C23H23BrN6O2.C18H21BrN10/c1-13-8-19(32-38-13)25(35)33-12-15(6-7-20(33)26(36)37)22-21(27)23(28)34-24(31-22)17(11-30-34)16-9-14-4-2-3-5-18(14)29-10-16;27-21-22(15-7-8-19(26(35)36)32(13-15)25(34)20-6-3-9-37-20)31-24-17(12-30-33(24)23(21)28)16-10-14-4-1-2-5-18(14)29-11-16;1-35-12-19(32)30-11-14(6-7-18(30)24(33)34)21-20(25)22(26)31-23(29-21)16(10-28-31)15-8-13-4-2-3-5-17(13)27-9-15;1-2-32-23(31)18-8-7-14(10-27-18)20-19(24)21(25)30-22(29-20)16(12-28-30)15-9-13-5-3-4-6-17(13)26-11-15;1-27-5-4-12(10-27)13-9-21-29-16(20)15(19)18(22-17(13)29)28-6-2-11(3-7-28)8-14-23-25-26-24-14/h2-5,8-11,15,20H,6-7,12,28H2,1H3,(H,36,37);1-6,9-12,15,19H,7-8,13,28H2,(H,35,36);2-5,8-10,14,18H,6-7,11-12,26H2,1H3,(H,33,34);3-6,9,11-12,14,18,27H,2,7-8,10,25H2,1H3;4-5,9-11H,2-3,6-8,20H2,1H3,(H,23,24,25,26)
• InChIKey: HFXXEKOWNKXMAF-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 641.66 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 21
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2645.99
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?

The IUPAC name of 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate (CID 158467469) is 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate.

What is the SMILES notation for 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?

The canonical SMILES for 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate is CCOC(=O)C1CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CN1.COCC(=O)N1CC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CCC1C(=O)O.Cc1cc(C(=O)N2CC(c3nc4c(-c5cnc6ccccc6c5)cnn4c(N)c3Br)CCC2C(=O)O)no1.Cn1ccc(-c2cnn3c(N)c(Br)c(N4CCC(Cc5nn[nH]n5)CC4)nc23)c1.Nc1c(Br)c(C2CCC(C(=O)O)N(C(=O)c3cccs3)C2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?

The InChIKey is HFXXEKOWNKXMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrN7O4.C26H21BrN6O3S.C24H23BrN6O4.C23H23BrN6O2.C18H21BrN10/c1-13-8-19(32-38-13)25(35)33-12-15(6-7-20(33)26(36)37)22-21(27)23(28)34-24(31-22)17(11-30-34)16-9-14-4-2-3-5-18(14)29-10-16;27-21-22(15-7-8-19(26(35)36)32(13-15)25(34)20-6-3-9-37-20)31-24-17(12-30-33(24)23(21)28)16-10-14-4-1-2-5-18(14)29-11-16;1-35-12-19(32)30-11-14(6-7-18(30)24(33)34)21-20(25)22(26)31-23(29-21)16(10-28-31)15-8-13-4-2-3-5-17(13)27-9-15;1-2-32-23(31)18-8-7-14(10-27-18)20-19(24)21(25)30-22(29-20)16(12-28-30)15-9-13-5-3-4-6-17(13)26-11-15;1-27-5-4-12(10-27)13-9-21-29-16(20)15(19)18(22-17(13)29)28-6-2-11(3-7-28)8-14-23-25-26-24-14/h2-5,8-11,15,20H,6-7,12,28H2,1H3,(H,36,37);1-6,9-12,15,19H,7-8,13,28H2,(H,35,36);2-5,8-10,14,18H,6-7,11-12,26H2,1H3,(H,33,34);3-6,9,11-12,14,18,27H,2,7-8,10,25H2,1H3;4-5,9-11H,2-3,6-8,20H2,1H3,(H,23,24,25,26).

What are the key properties of 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate?

5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate has a molecular weight of 2645.99 g/mol, XLogP of 17.72, 21 rotatable bonds, 10 hydrogen bond donors, and 42 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)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;6-bromo-3-(1-methylpyrrol-3-yl)-5-[4-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine;ethyl 5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate is sourced from PubChem (CID 158467469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158467469 — identifiers, structure, computed properties (public domain)

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