N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine

C92H95Br3N36O2S6 — CID 158086431

About N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine

N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine (PubChem CID 158086431) has the molecular formula C92H95Br3N36O2S6 and a molecular weight of 2169.14 g/mol. Its IUPAC name is N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine.

Molecular Properties

• Compound Name: N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine
• PubChem CID: 158086431
• Molecular Formula: C92H95Br3N36O2S6
• Molecular Weight: 2169.14 g/mol
• Exact Mass: 2164.43
• IUPAC Name: N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine
• SMILES: Cc1cc(Nc2c(Br)c(C3CCCNC3)nc3c(-c4cnn(C)c4Br)cnn23)sn1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(Br)cnn23)sn1.Cc1cc(Nc2cc(C3CNCCS3)nc3c(-c4cnn(C)c4)cnn23)sn1.[C-]#[N+]c1cc(-c2cnn3c(Nc4cc(C)ns4)cc(C4CCCNC4)nc23)co1.[C-]#[N+]c1cc(-c2cnn3c(Nc4cc(C)ns4)cc(C4CCCNC4)nc23)co1
• InChI: InChI=1S/2C20H19N7OS.C19H20Br2N8S.C18H20N8S2.C15H17BrN6S/c2*1-12-6-19(29-26-12)25-17-8-16(13-4-3-5-22-9-13)24-20-15(10-23-27(17)20)14-7-18(21-2)28-11-14;1-10-6-14(30-27-10)25-19-15(20)16(11-4-3-5-22-7-11)26-18-13(9-24-29(18)19)12-8-23-28(2)17(12)21;1-11-5-17(28-24-11)23-16-6-14(15-9-19-3-4-27-15)22-18-13(8-21-26(16)18)12-7-20-25(2)10-12;1-9-5-14(23-21-9)20-13-6-12(10-3-2-4-17-7-10)19-15-11(16)8-18-22(13)15/h2*6-8,10-11,13,22,25H,3-5,9H2,1H3;6,8-9,11,22,25H,3-5,7H2,1-2H3;5-8,10,15,19,23H,3-4,9H2,1-2H3;5-6,8,10,17,20H,2-4,7H2,1H3
• InChIKey: FNOMRJPPOMJWSF-UHFFFAOYSA-N
• XLogP: 20.14
• TPSA: 406.34 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 19
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2169.14
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine?

The IUPAC name of N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine (CID 158086431) is N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine.

What is the SMILES notation for N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine?

The canonical SMILES for N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine is Cc1cc(Nc2c(Br)c(C3CCCNC3)nc3c(-c4cnn(C)c4Br)cnn23)sn1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(Br)cnn23)sn1.Cc1cc(Nc2cc(C3CNCCS3)nc3c(-c4cnn(C)c4)cnn23)sn1.[C-]#[N+]c1cc(-c2cnn3c(Nc4cc(C)ns4)cc(C4CCCNC4)nc23)co1.[C-]#[N+]c1cc(-c2cnn3c(Nc4cc(C)ns4)cc(C4CCCNC4)nc23)co1.

What is the InChIKey of N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine?

The InChIKey is FNOMRJPPOMJWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19N7OS.C19H20Br2N8S.C18H20N8S2.C15H17BrN6S/c2*1-12-6-19(29-26-12)25-17-8-16(13-4-3-5-22-9-13)24-20-15(10-23-27(17)20)14-7-18(21-2)28-11-14;1-10-6-14(30-27-10)25-19-15(20)16(11-4-3-5-22-7-11)26-18-13(9-24-29(18)19)12-8-23-28(2)17(12)21;1-11-5-17(28-24-11)23-16-6-14(15-9-19-3-4-27-15)22-18-13(8-21-26(16)18)12-7-20-25(2)10-12;1-9-5-14(23-21-9)20-13-6-12(10-3-2-4-17-7-10)19-15-11(16)8-18-22(13)15/h2*6-8,10-11,13,22,25H,3-5,9H2,1H3;6,8-9,11,22,25H,3-5,7H2,1-2H3;5-8,10,15,19,23H,3-4,9H2,1-2H3;5-6,8,10,17,20H,2-4,7H2,1H3.

What are the key properties of N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine?

N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine has a molecular weight of 2169.14 g/mol, XLogP of 20.14, 19 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;bis(N-[3-(5-isocyanofuran-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine);3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 158086431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).