6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C98H90Br5FN32O11S5 — CID 158027066

About 6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158027066) has the molecular formula C98H90Br5FN32O11S5 and a molecular weight of 2470.86 g/mol. Its IUPAC name is 6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158027066
• Molecular Formula: C98H90Br5FN32O11S5
• Molecular Weight: 2470.86 g/mol
• Exact Mass: 2464.20
• IUPAC Name: 6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: COc1ccc2cc(-c3cnn4c(N)c(Br)c(N5CCS(=O)(=O)CC5)nc34)cnc2c1.Cc1cc2cc(-c3cnn4c(N)c(Br)c(N5CCS(=O)(=O)CC5)nc34)cnc2cc1F.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(N5CCS(=O)(=O)CC5)nc34)cc2c1.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccccc4n3)cnn12
• InChI: InChI=1S/C20H18BrFN6O2S.C20H18BrN7O2S.C20H19BrN6O3S.C20H19BrN6O2S.C18H16BrN7O2S/c1-11-6-12-7-13(9-24-16(12)8-15(11)22)14-10-25-28-18(23)17(21)20(26-19(14)28)27-2-4-31(29,30)5-3-27;21-17-18(22)28-19(26-20(17)27-6-8-31(29,30)9-7-27)15(12-25-28)13-3-4-16(24-11-13)14-2-1-5-23-10-14;1-30-14-3-2-12-8-13(10-23-16(12)9-14)15-11-24-27-18(22)17(21)20(25-19(15)27)26-4-6-31(28,29)7-5-26;1-12-2-3-16-13(8-12)9-14(10-23-16)15-11-24-27-18(22)17(21)20(25-19(15)27)26-4-6-30(28,29)7-5-26;19-15-16(20)26-17(24-18(15)25-5-7-29(27,28)8-6-25)11(9-22-26)14-10-21-12-3-1-2-4-13(12)23-14/h6-10H,2-5,23H2,1H3;1-5,10-12H,6-9,22H2;2-3,8-11H,4-7,22H2,1H3;2-3,8-11H,4-7,22H2,1H3;1-4,9-10H,5-8,20H2
• InChIKey: FGSOTNMKRREMRX-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 567.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 12
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2470.86
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158027066) is 6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc2cc(-c3cnn4c(N)c(Br)c(N5CCS(=O)(=O)CC5)nc34)cnc2c1.Cc1cc2cc(-c3cnn4c(N)c(Br)c(N5CCS(=O)(=O)CC5)nc34)cnc2cc1F.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(N5CCS(=O)(=O)CC5)nc34)cc2c1.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccccc4n3)cnn12.

What is the InChIKey of 6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is FGSOTNMKRREMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN6O2S.C20H18BrN7O2S.C20H19BrN6O3S.C20H19BrN6O2S.C18H16BrN7O2S/c1-11-6-12-7-13(9-24-16(12)8-15(11)22)14-10-25-28-18(23)17(21)20(26-19(14)28)27-2-4-31(29,30)5-3-27;21-17-18(22)28-19(26-20(17)27-6-8-31(29,30)9-7-27)15(12-25-28)13-3-4-16(24-11-13)14-2-1-5-23-10-14;1-30-14-3-2-12-8-13(10-23-16(12)9-14)15-11-24-27-18(22)17(21)20(25-19(15)27)26-4-6-31(28,29)7-5-26;1-12-2-3-16-13(8-12)9-14(10-23-16)15-11-24-27-18(22)17(21)20(25-19(15)27)26-4-6-30(28,29)7-5-26;19-15-16(20)26-17(24-18(15)25-5-7-29(27,28)8-6-25)11(9-22-26)14-10-21-12-3-1-2-4-13(12)23-14/h6-10H,2-5,23H2,1H3;1-5,10-12H,6-9,22H2;2-3,8-11H,4-7,22H2,1H3;2-3,8-11H,4-7,22H2,1H3;1-4,9-10H,5-8,20H2.

What are the key properties of 6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?

6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2470.86 g/mol, XLogP of 12.69, 12 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-methoxyquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinoxalin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158027066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).