6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine

C91H82Br6FN33O10S5 — CID 158142343

About 6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158142343) has the molecular formula C91H82Br6FN33O10S5 and a molecular weight of 2456.63 g/mol. Its IUPAC name is 6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158142343
• Molecular Formula: C91H82Br6FN33O10S5
• Molecular Weight: 2456.63 g/mol
• Exact Mass: 2449.06
• IUPAC Name: 6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1cc2cc(-c3cnn4c(N)c(Br)c(N5CCS(=O)(=O)CC5)nc34)cnc2cc1F.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4c(c3)CC=C4)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4c(c3)CC=C4Br)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4ncccc4c3)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4nccnc4c3)cnn12
• InChI: InChI=1S/C20H18BrFN6O2S.C18H16Br2N6O2S.C18H16BrN7O2S.C18H17BrN6O2S.C17H15BrN8O2S/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;19-13-2-1-10-7-11(8-22-15(10)13)12-9-23-26-16(21)14(20)18(24-17(12)26)25-3-5-29(27,28)6-4-25;19-14-15(20)26-17(24-18(14)25-4-6-29(27,28)7-5-25)13(10-23-26)12-8-11-2-1-3-21-16(11)22-9-12;19-15-16(20)25-17(23-18(15)24-4-6-28(26,27)7-5-24)13(10-22-25)12-8-11-2-1-3-14(11)21-9-12;18-13-14(19)26-16(24-17(13)25-3-5-29(27,28)6-4-25)11(9-23-26)10-7-12-15(22-8-10)21-2-1-20-12/h6-10H,2-5,23H2,1H3;2,7-9H,1,3-6,21H2;1-3,8-10H,4-7,20H2;1,3,8-10H,2,4-7,20H2;1-2,7-9H,3-6,19H2
• InChIKey: FUCDTKJRVMCTSE-UHFFFAOYSA-N
• XLogP: 10.81
• TPSA: 571.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 10
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.63
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158142343) is 6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc2cc(-c3cnn4c(N)c(Br)c(N5CCS(=O)(=O)CC5)nc34)cnc2cc1F.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4c(c3)CC=C4)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4c(c3)CC=C4Br)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4ncccc4c3)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4nccnc4c3)cnn12.

What is the InChIKey of 6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is FUCDTKJRVMCTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN6O2S.C18H16Br2N6O2S.C18H16BrN7O2S.C18H17BrN6O2S.C17H15BrN8O2S/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;19-13-2-1-10-7-11(8-22-15(10)13)12-9-23-26-16(21)14(20)18(24-17(12)26)25-3-5-29(27,28)6-4-25;19-14-15(20)26-17(24-18(14)25-4-6-29(27,28)7-5-25)13(10-23-26)12-8-11-2-1-3-21-16(11)22-9-12;19-15-16(20)25-17(23-18(15)24-4-6-28(26,27)7-5-24)13(10-22-25)12-8-11-2-1-3-14(11)21-9-12;18-13-14(19)26-16(24-17(13)25-3-5-29(27,28)6-4-25)11(9-23-26)10-7-12-15(22-8-10)21-2-1-20-12/h6-10H,2-5,23H2,1H3;2,7-9H,1,3-6,21H2;1-3,8-10H,4-7,20H2;1,3,8-10H,2,4-7,20H2;1-2,7-9H,3-6,19H2.

What are the key properties of 6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine?

6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2456.63 g/mol, XLogP of 10.81, 10 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-(7-bromo-5H-cyclopenta[b]pyridin-3-yl)-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(5H-cyclopenta[b]pyridin-3-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-fluoro-6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1,8-naphthyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyrido[2,3-b]pyrazin-7-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158142343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).