6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine

C88H80Br6FN31O10S5 — CID 158126105

About 6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158126105) has the molecular formula C88H80Br6FN31O10S5 and a molecular weight of 2390.57 g/mol. Its IUPAC name is 6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158126105
• Molecular Formula: C88H80Br6FN31O10S5
• Molecular Weight: 2390.57 g/mol
• Exact Mass: 2383.04
• IUPAC Name: 6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3ccc4c(c3)CN=C4Br)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3ccc4ncccc4c3)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3ccncc3)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4[nH]ccc4c3)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4cc(F)ccc4c3)cnn12
• InChI: InChI=1S/C19H16BrFN6O2S.C19H17BrN6O2S.C18H16Br2N6O2S.C17H16BrN7O2S.C15H15BrN6O2S/c20-16-17(22)27-18(25-19(16)26-3-5-30(28,29)6-4-26)14(10-24-27)12-7-11-1-2-13(21)8-15(11)23-9-12;20-16-17(21)26-18(24-19(16)25-6-8-29(27,28)9-7-25)14(11-23-26)12-3-4-15-13(10-12)2-1-5-22-15;19-14-16(21)26-17(24-18(14)25-3-5-29(27,28)6-4-25)13(9-23-26)10-1-2-12-11(7-10)8-22-15(12)20;18-13-14(19)25-16(23-17(13)24-3-5-28(26,27)6-4-24)12(9-22-25)11-7-10-1-2-20-15(10)21-8-11;16-12-13(17)22-14(11(9-19-22)10-1-3-18-4-2-10)20-15(12)21-5-7-25(23,24)8-6-21/h1-2,7-10H,3-6,22H2;1-5,10-11H,6-9,21H2;1-2,7,9H,3-6,8,21H2;1-2,7-9H,3-6,19H2,(H,20,21);1-4,9H,5-8,17H2
• InChIKey: FSERBWIMKJOEIB-UHFFFAOYSA-N
• XLogP: 11.04
• TPSA: 547.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 10
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2390.57
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158126105) is 6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3ccc4c(c3)CN=C4Br)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3ccc4ncccc4c3)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3ccncc3)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4[nH]ccc4c3)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4cc(F)ccc4c3)cnn12.

What is the InChIKey of 6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is FSERBWIMKJOEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN6O2S.C19H17BrN6O2S.C18H16Br2N6O2S.C17H16BrN7O2S.C15H15BrN6O2S/c20-16-17(22)27-18(25-19(16)26-3-5-30(28,29)6-4-26)14(10-24-27)12-7-11-1-2-13(21)8-15(11)23-9-12;20-16-17(21)26-18(24-19(16)25-6-8-29(27,28)9-7-25)14(11-23-26)12-3-4-15-13(10-12)2-1-5-22-15;19-14-16(21)26-17(24-18(14)25-3-5-29(27,28)6-4-25)13(9-23-26)10-1-2-12-11(7-10)8-22-15(12)20;18-13-14(19)25-16(23-17(13)24-3-5-28(26,27)6-4-24)12(9-22-25)11-7-10-1-2-20-15(10)21-8-11;16-12-13(17)22-14(11(9-19-22)10-1-3-18-4-2-10)20-15(12)21-5-7-25(23,24)8-6-21/h1-2,7-10H,3-6,22H2;1-5,10-11H,6-9,21H2;1-2,7,9H,3-6,8,21H2;1-2,7-9H,3-6,19H2,(H,20,21);1-4,9H,5-8,17H2.

What are the key properties of 6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine?

6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2390.57 g/mol, XLogP of 11.04, 10 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-(1-bromo-3H-isoindol-5-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(7-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158126105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).