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

C123H95Br5N26O10S2 — CID 160584071

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

2-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]phenyl]acetic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 160584071) has the molecular formula C123H95Br5N26O10S2 and a molecular weight of 2560.94 g/mol. Its IUPAC name is 2-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]phenyl]acetic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]phenyl]acetic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 160584071
• Molecular Formula: C123H95Br5N26O10S2
• Molecular Weight: 2560.94 g/mol
• Exact Mass: 2554.31
• IUPAC Name: 2-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]phenyl]acetic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CS(=O)(=O)c1ccc(Cc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)cc1.CS(=O)(=O)c1ccc(Cc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)cc1.Nc1c(Br)c(Cc2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(Cc2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(Cc2ccc(CC(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C26H20BrN5O2.C25H19BrN6O2.C25H20BrN5O2S.C24H18BrN5O2.C23H18BrN5O2S/c27-24-22(12-16-6-8-17(9-7-16)13-23(33)34)31-26-20(15-30-32(26)25(24)28)19-10-11-21(29-14-19)18-4-2-1-3-5-18;26-23-21(10-15-3-5-16(6-4-15)11-22(33)34)31-25-19(14-30-32(25)24(23)27)17-7-8-20(29-13-17)18-2-1-9-28-12-18;1-34(32,33)19-10-7-16(8-11-19)13-22-23(26)24(27)31-25(30-22)20(15-29-31)18-9-12-21(28-14-18)17-5-3-2-4-6-17;25-22-20(9-14-5-7-15(8-6-14)10-21(31)32)29-24-18(13-28-30(24)23(22)26)17-11-16-3-1-2-4-19(16)27-12-17;1-32(30,31)17-8-6-14(7-9-17)10-20-21(24)22(25)29-23(28-20)18(13-27-29)16-11-15-4-2-3-5-19(15)26-12-16/h1-11,14-15H,12-13,28H2,(H,33,34);1-9,12-14H,10-11,27H2,(H,33,34);2-12,14-15H,13,27H2,1H3;1-8,11-13H,9-10,26H2,(H,31,32);2-9,11-13H,10,25H2,1H3
• InChIKey: RCDRVAMWGSZGFU-UHFFFAOYSA-N
• XLogP: 23.02
• TPSA: 538.57 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2560.94
LogP ≤ 5	23.02
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

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

The IUPAC name of 2-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]phenyl]acetic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 160584071) is 2-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]phenyl]acetic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

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

The canonical SMILES for 2-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]phenyl]acetic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CS(=O)(=O)c1ccc(Cc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)cc1.CS(=O)(=O)c1ccc(Cc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)cc1.Nc1c(Br)c(Cc2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.Nc1c(Br)c(Cc2ccc(CC(=O)O)cc2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(Cc2ccc(CC(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12.

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

The InChIKey is RCDRVAMWGSZGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrN5O2.C25H19BrN6O2.C25H20BrN5O2S.C24H18BrN5O2.C23H18BrN5O2S/c27-24-22(12-16-6-8-17(9-7-16)13-23(33)34)31-26-20(15-30-32(26)25(24)28)19-10-11-21(29-14-19)18-4-2-1-3-5-18;26-23-21(10-15-3-5-16(6-4-15)11-22(33)34)31-25-19(14-30-32(25)24(23)27)17-7-8-20(29-13-17)18-2-1-9-28-12-18;1-34(32,33)19-10-7-16(8-11-19)13-22-23(26)24(27)31-25(30-22)20(15-29-31)18-9-12-21(28-14-18)17-5-3-2-4-6-17;25-22-20(9-14-5-7-15(8-6-14)10-21(31)32)29-24-18(13-28-30(24)23(22)26)17-11-16-3-1-2-4-19(16)27-12-17;1-32(30,31)17-8-6-14(7-9-17)10-20-21(24)22(25)29-23(28-20)18(13-27-29)16-11-15-4-2-3-5-19(15)26-12-16/h1-11,14-15H,12-13,28H2,(H,33,34);1-9,12-14H,10-11,27H2,(H,33,34);2-12,14-15H,13,27H2,1H3;1-8,11-13H,9-10,26H2,(H,31,32);2-9,11-13H,10,25H2,1H3.

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

2-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]phenyl]acetic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2560.94 g/mol, XLogP of 23.02, 26 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]phenyl]acetic acid;2-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]phenyl]acetic acid;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(4-methylsulfonylphenyl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 160584071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).