3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid

C100H96Br2N30O10 — CID 158546812

About 3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid

3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid (PubChem CID 158546812) has the molecular formula C100H96Br2N30O10 and a molecular weight of 2037.88 g/mol. Its IUPAC name is 3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

• Compound Name: 3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid
• PubChem CID: 158546812
• Molecular Formula: C100H96Br2N30O10
• Molecular Weight: 2037.88 g/mol
• Exact Mass: 2034.63
• IUPAC Name: 3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid
• SMILES: Cn1cc(-c2cnn3c(N)cc(N4CCC(CC(=O)O)C4)nc23)cn1.Nc1c(Br)c(C2CCC(C(=O)O)C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCC(C(=O)O)C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2CCCN(CC(=O)O)C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2CCC(CC(=O)O)C2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C22H22N6O2.C21H18BrN5O2.C21H20N6O2.C20H17BrN6O2.C16H19N7O2/c23-20-9-19(15-5-3-7-27(12-15)13-21(29)30)26-22-17(11-25-28(20)22)16-8-14-4-1-2-6-18(14)24-10-16;22-17-18(12-5-6-13(8-12)21(28)29)26-20-15(10-25-27(20)19(17)23)14-7-11-3-1-2-4-16(11)24-9-14;22-18-9-19(26-6-5-13(12-26)7-20(28)29)25-21-16(11-24-27(18)21)15-8-14-3-1-2-4-17(14)23-10-15;21-16-17(22)27-18(25-19(16)26-6-5-12(10-26)20(28)29)14(9-24-27)13-7-11-3-1-2-4-15(11)23-8-13;1-21-9-11(6-18-21)12-7-19-23-13(17)5-14(20-16(12)23)22-3-2-10(8-22)4-15(24)25/h1-2,4,6,8-11,15H,3,5,7,12-13,23H2,(H,29,30);1-4,7,9-10,12-13H,5-6,8,23H2,(H,28,29);1-4,8-11,13H,5-7,12,22H2,(H,28,29);1-4,7-9,12H,5-6,10,22H2,(H,28,29);5-7,9-10H,2-4,8,17H2,1H3,(H,24,25)
• InChIKey: HPFGQMMPKCJSFC-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 549.89 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 18
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2037.88
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid?

The IUPAC name of 3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid (CID 158546812) is 3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid.

What is the SMILES notation for 3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid?

The canonical SMILES for 3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid is Cn1cc(-c2cnn3c(N)cc(N4CCC(CC(=O)O)C4)nc23)cn1.Nc1c(Br)c(C2CCC(C(=O)O)C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCC(C(=O)O)C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(C2CCCN(CC(=O)O)C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2CCC(CC(=O)O)C2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid?

The InChIKey is HPFGQMMPKCJSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2.C21H18BrN5O2.C21H20N6O2.C20H17BrN6O2.C16H19N7O2/c23-20-9-19(15-5-3-7-27(12-15)13-21(29)30)26-22-17(11-25-28(20)22)16-8-14-4-1-2-6-18(14)24-10-16;22-17-18(12-5-6-13(8-12)21(28)29)26-20-15(10-25-27(20)19(17)23)14-7-11-3-1-2-4-16(11)24-9-14;22-18-9-19(26-6-5-13(12-26)7-20(28)29)25-21-16(11-24-27(18)21)15-8-14-3-1-2-4-17(14)23-10-15;21-16-17(22)27-18(25-19(16)26-6-5-12(10-26)20(28)29)14(9-24-27)13-7-11-3-1-2-4-15(11)23-8-13;1-21-9-11(6-18-21)12-7-19-23-13(17)5-14(20-16(12)23)22-3-2-10(8-22)4-15(24)25/h1-2,4,6,8-11,15H,3,5,7,12-13,23H2,(H,29,30);1-4,7,9-10,12-13H,5-6,8,23H2,(H,28,29);1-4,8-11,13H,5-7,12,22H2,(H,28,29);1-4,7-9,12H,5-6,10,22H2,(H,28,29);5-7,9-10H,2-4,8,17H2,1H3,(H,24,25).

What are the key properties of 3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid?

3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid has a molecular weight of 2037.88 g/mol, XLogP of 14.09, 18 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclopentane-1-carboxylic acid;1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;2-[1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]acetic acid;2-[3-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;2-[1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 158546812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).