4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid

C114H78Br5N29O10 — CID 160896973

About 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid

4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid (PubChem CID 160896973) has the molecular formula C114H78Br5N29O10 and a molecular weight of 2413.59 g/mol. Its IUPAC name is 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid.

Molecular Properties

• Compound Name: 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid
• PubChem CID: 160896973
• Molecular Formula: C114H78Br5N29O10
• Molecular Weight: 2413.59 g/mol
• Exact Mass: 2407.24
• IUPAC Name: 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid
• SMILES: Nc1c(Br)c(-c2ccc(C(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)cc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(-c2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(CC(=O)O)cc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12
• InChI: InChI=1S/C24H17BrN6O2.C23H15BrN6O2.C23H17BrN6O2.C22H15BrN6O2.C22H14BrN5O2/c25-21-22(15-5-3-14(4-6-15)10-20(32)33)30-24-18(13-29-31(24)23(21)26)16-7-8-19(28-12-16)17-2-1-9-27-11-17;24-19-20(13-3-5-14(6-4-13)23(31)32)29-22-17(12-28-30(22)21(19)25)15-7-8-18(27-11-15)16-2-1-9-26-10-16;24-20-21(15-8-6-14(7-9-15)10-19(31)32)28-23-18(12-27-30(23)22(20)25)16-11-26-29(13-16)17-4-2-1-3-5-17;23-18-19(13-6-8-14(9-7-13)22(30)31)27-21-17(11-26-29(21)20(18)24)15-10-25-28(12-15)16-4-2-1-3-5-16;23-18-19(12-5-7-13(8-6-12)22(29)30)27-21-16(11-26-28(21)20(18)24)15-9-14-3-1-2-4-17(14)25-10-15/h1-9,11-13H,10,26H2,(H,32,33);1-12H,25H2,(H,31,32);1-9,11-13H,10,25H2,(H,31,32);1-12H,24H2,(H,30,31);1-11H,24H2,(H,29,30)
• InChIKey: SOZUIGXXSILGBD-UHFFFAOYSA-N
• XLogP: 22.22
• TPSA: 567.64 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2413.59
LogP ≤ 5	22.22
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid?

The IUPAC name of 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid (CID 160896973) is 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid.

What is the SMILES notation for 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid?

The canonical SMILES for 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid is Nc1c(Br)c(-c2ccc(C(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(-c2ccc(C(=O)O)cc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12.Nc1c(Br)c(-c2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(-c2ccc(CC(=O)O)cc2)nc2c(-c3cnn(-c4ccccc4)c3)cnn12.

What is the InChIKey of 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid?

The InChIKey is SOZUIGXXSILGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN6O2.C23H15BrN6O2.C23H17BrN6O2.C22H15BrN6O2.C22H14BrN5O2/c25-21-22(15-5-3-14(4-6-15)10-20(32)33)30-24-18(13-29-31(24)23(21)26)16-7-8-19(28-12-16)17-2-1-9-27-11-17;24-19-20(13-3-5-14(6-4-13)23(31)32)29-22-17(12-28-30(22)21(19)25)15-7-8-18(27-11-15)16-2-1-9-26-10-16;24-20-21(15-8-6-14(7-9-15)10-19(31)32)28-23-18(12-27-30(23)22(20)25)16-11-26-29(13-16)17-4-2-1-3-5-17;23-18-19(13-6-8-14(9-7-13)22(30)31)27-21-17(11-26-29(21)20(18)24)15-10-25-28(12-15)16-4-2-1-3-5-16;23-18-19(12-5-7-13(8-6-12)22(29)30)27-21-16(11-26-28(21)20(18)24)15-9-14-3-1-2-4-17(14)25-10-15/h1-9,11-13H,10,26H2,(H,32,33);1-12H,25H2,(H,31,32);1-9,11-13H,10,25H2,(H,31,32);1-12H,24H2,(H,30,31);1-11H,24H2,(H,29,30).

What are the key properties of 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid?

4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid has a molecular weight of 2413.59 g/mol, XLogP of 22.22, 21 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid;2-[4-[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]acetic acid;4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzoic acid is sourced from PubChem (CID 160896973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).