5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C115H84Br4N28O15S5 — CID 157177324

About 5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157177324) has the molecular formula C115H84Br4N28O15S5 and a molecular weight of 2578.07 g/mol. Its IUPAC name is 5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 157177324
• Molecular Formula: C115H84Br4N28O15S5
• Molecular Weight: 2578.07 g/mol
• Exact Mass: 2572.20
• IUPAC Name: 5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CC(=O)c1c(-c2ccc3c(c2)C(=O)NS3(=O)=O)nc2c(-c3cnn(-c4ccccc4)c3)cnn2c1N.CS(=O)(=O)c1ccc(Oc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)cc1.CS(=O)(=O)c1ccc(Oc2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)cc1.CS(=O)(=O)c1ccc(Oc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)cc1.CS(=O)c1ccc(Oc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)cc1
• InChI: InChI=1S/C24H18BrN5O3S.C24H17N7O4S.C23H17BrN6O3S.C22H16BrN5O3S.C22H16BrN5O2S/c1-34(31,32)18-10-8-17(9-11-18)33-24-21(25)22(26)30-23(29-24)19(14-28-30)16-7-12-20(27-13-16)15-5-3-2-4-6-15;1-13(32)20-21(14-7-8-19-17(9-14)24(33)29-36(19,34)35)28-23-18(11-27-31(23)22(20)25)15-10-26-30(12-15)16-5-3-2-4-6-16;1-34(31,32)17-7-5-16(6-8-17)33-23-20(24)21(25)30-22(29-23)18(13-28-30)14-4-9-19(27-12-14)15-3-2-10-26-11-15;1-32(29,30)16-8-6-15(7-9-16)31-22-19(23)20(24)28-21(27-22)17(12-26-28)14-10-13-4-2-3-5-18(13)25-11-14;1-31(29)16-8-6-15(7-9-16)30-22-19(23)20(24)28-21(27-22)17(12-26-28)14-10-13-4-2-3-5-18(13)25-11-14/h2-14H,26H2,1H3;2-12H,25H2,1H3,(H,29,33);2-13H,25H2,1H3;2-12H,24H2,1H3;2-12H,24H2,1H3
• InChIKey: AODYNWOARNPYRU-UHFFFAOYSA-N
• XLogP: 21.16
• TPSA: 600.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 22
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2578.07
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 157177324) is 5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(=O)c1c(-c2ccc3c(c2)C(=O)NS3(=O)=O)nc2c(-c3cnn(-c4ccccc4)c3)cnn2c1N.CS(=O)(=O)c1ccc(Oc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)cc1.CS(=O)(=O)c1ccc(Oc2nc3c(-c4ccc(-c5cccnc5)nc4)cnn3c(N)c2Br)cc1.CS(=O)(=O)c1ccc(Oc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)cc1.CS(=O)c1ccc(Oc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)cc1.

What is the InChIKey of 5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is AODYNWOARNPYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN5O3S.C24H17N7O4S.C23H17BrN6O3S.C22H16BrN5O3S.C22H16BrN5O2S/c1-34(31,32)18-10-8-17(9-11-18)33-24-21(25)22(26)30-23(29-24)19(14-28-30)16-7-12-20(27-13-16)15-5-3-2-4-6-15;1-13(32)20-21(14-7-8-19-17(9-14)24(33)29-36(19,34)35)28-23-18(11-27-31(23)22(20)25)15-10-26-30(12-15)16-5-3-2-4-6-16;1-34(31,32)17-7-5-16(6-8-17)33-23-20(24)21(25)30-22(29-23)18(13-28-30)14-4-9-19(27-12-14)15-3-2-10-26-11-15;1-32(29,30)16-8-6-15(7-9-16)31-22-19(23)20(24)28-21(27-22)17(12-26-28)14-10-13-4-2-3-5-18(13)25-11-14;1-31(29)16-8-6-15(7-9-16)30-22-19(23)20(24)28-21(27-22)17(12-26-28)14-10-13-4-2-3-5-18(13)25-11-14/h2-14H,26H2,1H3;2-12H,25H2,1H3,(H,29,33);2-13H,25H2,1H3;2-12H,24H2,1H3;2-12H,24H2,1H3.

What are the key properties of 5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2578.07 g/mol, XLogP of 21.16, 22 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157177324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).