3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C81H89Br5N30O3 — CID 161227229

About 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 161227229) has the molecular formula C81H89Br5N30O3 and a molecular weight of 1930.33 g/mol. Its IUPAC name is 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 161227229
• Molecular Formula: C81H89Br5N30O3
• Molecular Weight: 1930.33 g/mol
• Exact Mass: 1924.37
• IUPAC Name: 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: COc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.NC(=O)c1cccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cccnc3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3ccoc3)cnn12
• InChI: InChI=1S/C18H19BrN6O.C17H19BrN6O.C16H17BrN6.C15H18BrN7.C15H16BrN5O/c19-14-15(12-5-2-6-22-8-12)24-18-13(9-23-25(18)16(14)20)10-3-1-4-11(7-10)17(21)26;1-25-13-5-4-10(8-21-13)12-9-22-24-16(19)14(18)15(23-17(12)24)11-3-2-6-20-7-11;17-13-14(11-4-2-6-20-8-11)22-16-12(9-21-23(16)15(13)18)10-3-1-5-19-7-10;1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;16-12-13(9-2-1-4-18-6-9)20-15-11(10-3-5-22-8-10)7-19-21(15)14(12)17/h1,3-4,7,9,12,22H,2,5-6,8,20H2,(H2,21,26);4-5,8-9,11,20H,2-3,6-7,19H2,1H3;1,3,5,7,9,11,20H,2,4,6,8,18H2;6-9,18H,2-5,17H2,1H3;3,5,7-9,18H,1-2,4,6,17H2
• InChIKey: UYHCGQBQZZJOMH-UHFFFAOYSA-N
• XLogP: 12.26
• TPSA: 450.26 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 12
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1930.33
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 161227229) is 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.NC(=O)c1cccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cccnc3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3ccoc3)cnn12.

What is the InChIKey of 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is UYHCGQBQZZJOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN6O.C17H19BrN6O.C16H17BrN6.C15H18BrN7.C15H16BrN5O/c19-14-15(12-5-2-6-22-8-12)24-18-13(9-23-25(18)16(14)20)10-3-1-4-11(7-10)17(21)26;1-25-13-5-4-10(8-21-13)12-9-22-24-16(19)14(18)15(23-17(12)24)11-3-2-6-20-7-11;17-13-14(11-4-2-6-20-8-11)22-16-12(9-21-23(16)15(13)18)10-3-1-5-19-7-10;1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;16-12-13(9-2-1-4-18-6-9)20-15-11(10-3-5-22-8-10)7-19-21(15)14(12)17/h1,3-4,7,9,12,22H,2,5-6,8,20H2,(H2,21,26);4-5,8-9,11,20H,2-3,6-7,19H2,1H3;1,3,5,7,9,11,20H,2,4,6,8,18H2;6-9,18H,2-5,17H2,1H3;3,5,7-9,18H,1-2,4,6,17H2.

What are the key properties of 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?

3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1930.33 g/mol, XLogP of 12.26, 12 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(furan-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 161227229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).