3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C102H99Br7N34O14S8 — CID 162141932

About 3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162141932) has the molecular formula C102H99Br7N34O14S8 and a molecular weight of 2841.00 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 162141932
• Molecular Formula: C102H99Br7N34O14S8
• Molecular Weight: 2841.00 g/mol
• Exact Mass: 2832.01
• IUPAC Name: 3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CN1CCOc2cc(-c3cnn4c(N)c(Br)c(N5CCS(=O)(=O)CC5)nc34)ccc21.Cn1ccc(-c2cnn3c(N)c(Br)c(N4CCS(=O)(=O)CC4)nc23)c1.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3c(Br)sc4ccccc34)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3ccc4nocc4c3)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cccnc3)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3csc4ccccc34)cnn12
• InChI: InChI=1S/C19H21BrN6O3S.C18H15Br2N5O2S2.C18H16BrN5O2S2.C17H15BrN6O3S.C15H17BrN6O2S.C15H15BrN6O2S/c1-24-4-7-29-15-10-12(2-3-14(15)24)13-11-22-26-17(21)16(20)19(23-18(13)26)25-5-8-30(27,28)9-6-25;19-14-16(21)25-17(23-18(14)24-5-7-29(26,27)8-6-24)11(9-22-25)13-10-3-1-2-4-12(10)28-15(13)20;19-15-16(20)24-17(22-18(15)23-5-7-28(25,26)8-6-23)12(9-21-24)13-10-27-14-4-2-1-3-11(13)14;18-14-15(19)24-16(21-17(14)23-3-5-28(25,26)6-4-23)12(8-20-24)10-1-2-13-11(7-10)9-27-22-13;1-20-3-2-10(9-20)11-8-18-22-13(17)12(16)15(19-14(11)22)21-4-6-25(23,24)7-5-21;16-12-13(17)22-14(11(9-19-22)10-2-1-3-18-8-10)20-15(12)21-4-6-25(23,24)7-5-21/h2-3,10-11H,4-9,21H2,1H3;1-4,9H,5-8,21H2;1-4,9-10H,5-8,20H2;1-2,7-9H,3-6,19H2;2-3,8-9H,4-7,17H2,1H3;1-3,8-9H,4-7,17H2
• InChIKey: ZKAPDROBBCUGLT-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 617.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 50
• Rotatable Bonds: 12
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2841.00
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 162141932) is 3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CN1CCOc2cc(-c3cnn4c(N)c(Br)c(N5CCS(=O)(=O)CC5)nc34)ccc21.Cn1ccc(-c2cnn3c(N)c(Br)c(N4CCS(=O)(=O)CC4)nc23)c1.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3c(Br)sc4ccccc34)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3ccc4nocc4c3)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3cccnc3)cnn12.Nc1c(Br)c(N2CCS(=O)(=O)CC2)nc2c(-c3csc4ccccc34)cnn12.

What is the InChIKey of 3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is ZKAPDROBBCUGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN6O3S.C18H15Br2N5O2S2.C18H16BrN5O2S2.C17H15BrN6O3S.C15H17BrN6O2S.C15H15BrN6O2S/c1-24-4-7-29-15-10-12(2-3-14(15)24)13-11-22-26-17(21)16(20)19(23-18(13)26)25-5-8-30(27,28)9-6-25;19-14-16(21)25-17(23-18(14)24-5-7-29(26,27)8-6-24)11(9-22-25)13-10-3-1-2-4-12(10)28-15(13)20;19-15-16(20)24-17(22-18(15)23-5-7-28(25,26)8-6-23)12(9-21-24)13-10-27-14-4-2-1-3-11(13)14;18-14-15(19)24-16(21-17(14)23-3-5-28(25,26)6-4-23)12(8-20-24)10-1-2-13-11(7-10)9-27-22-13;1-20-3-2-10(9-20)11-8-18-22-13(17)12(16)15(19-14(11)22)21-4-6-25(23,24)7-5-21;16-12-13(17)22-14(11(9-19-22)10-2-1-3-18-8-10)20-15(12)21-4-6-25(23,24)7-5-21/h2-3,10-11H,4-9,21H2,1H3;1-4,9H,5-8,21H2;1-4,9-10H,5-8,20H2;1-2,7-9H,3-6,19H2;2-3,8-9H,4-7,17H2,1H3;1-3,8-9H,4-7,17H2.

What are the key properties of 3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2841.00 g/mol, XLogP of 13.75, 12 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzothiophen-3-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2,1-benzoxazol-5-yl)-6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-bromo-1-benzothiophen-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-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162141932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).