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-(3-methyl-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-(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

C89H82Br6N34O10S5 — CID 161125325

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-(3-methyl-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-(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-(3-methyl-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-(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 161125325) has the molecular formula C89H82Br6N34O10S5 and a molecular weight of 2427.62 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-(3-methyl-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-(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-(3-methyl-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-(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: 161125325
• Molecular Formula: C89H82Br6N34O10S5
• Molecular Weight: 2427.62 g/mol
• Exact Mass: 2420.07
• 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-(3-methyl-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-(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: Cc1c[nH]c2ncc(-c3cnn4c(N)c(Br)c(N5CCS(=O)(=O)CC5)nc34)cc12.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/C18H16Br2N6O2S.C18H18BrN7O2S.C18H16BrN7O2S.C18H17BrN6O2S.C17H15BrN8O2S/c19-13-2-1-10-7-11(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;1-10-7-21-16-12(10)6-11(8-22-16)13-9-23-26-15(20)14(19)18(24-17(13)26)25-2-4-29(27,28)5-3-25;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/h2,7-9H,1,3-6,21H2;6-9H,2-5,20H2,1H3,(H,21,22);1-3,8-10H,4-7,20H2;1,3,8-10H,2,4-7,20H2;1-2,7-9H,3-6,19H2
• InChIKey: ULMJBBKSQVOYGL-UHFFFAOYSA-N
• XLogP: 10.00
• TPSA: 586.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 10
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2427.62
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	6
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-(3-methyl-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-(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-(3-methyl-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-(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 161125325) 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-(3-methyl-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-(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-(3-methyl-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-(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-(3-methyl-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-(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 Cc1c[nH]c2ncc(-c3cnn4c(N)c(Br)c(N5CCS(=O)(=O)CC5)nc34)cc12.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-(3-methyl-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-(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 ULMJBBKSQVOYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N6O2S.C18H18BrN7O2S.C18H16BrN7O2S.C18H17BrN6O2S.C17H15BrN8O2S/c19-13-2-1-10-7-11(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;1-10-7-21-16-12(10)6-11(8-22-16)13-9-23-26-15(20)14(19)18(24-17(13)26)25-2-4-29(27,28)5-3-25;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/h2,7-9H,1,3-6,21H2;6-9H,2-5,20H2,1H3,(H,21,22);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-(3-methyl-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-(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-(3-methyl-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-(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 2427.62 g/mol, XLogP of 10.00, 10 rotatable bonds, 6 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-(3-methyl-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-(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 161125325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).