6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine);bis(6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine)

C₈₆H₁₀₀Br₄F₂N₄₂OS₂ — CID 161232661

About 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine);bis(6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine)

6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine);bis(6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine) (PubChem CID 161232661) has the molecular formula C₈₆H₁₀₀Br₄F₂N₄₂OS₂ and a molecular weight of 2159.78 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine);bis(6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine).

Molecular Properties

• Compound Name: 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine);bis(6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine)
• PubChem CID: 161232661
• Molecular Formula: C₈₆H₁₀₀Br₄F₂N₄₂OS₂
• Molecular Weight: 2159.78 g/mol
• Exact Mass: 2154.52
• IUPAC Name: 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine);bis(6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine)
• SMILES: Cn1cc(-c2cnn3c(N)c(Br)c(C4CCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCS4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCS4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(F)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(F)c(C4CCCNC4)nc23)cn1
• InChI: InChI=1S/2C15H18FN7.C14H16BrN7O.2C14H16BrN7S.C14H16BrN7/c2*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;3*1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10;1-21-7-9(5-18-21)10-6-19-22-13(16)11(15)12(20-14(10)22)8-2-3-17-4-8/h2*6-9,18H,2-5,17H2,1H3;3*4-5,7,10,17H,2-3,6,16H2,1H3;5-8,17H,2-4,16H2,1H3
• InChIKey: UYYOOKHFNDYQOI-UHFFFAOYSA-N
• XLogP: 9.03
• TPSA: 525.59 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 45
• Rotatable Bonds: 12
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2159.78
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

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

The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine);bis(6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine) (CID 161232661) is 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine);bis(6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine).

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

The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine);bis(6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine) is Cn1cc(-c2cnn3c(N)c(Br)c(C4CCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCO4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCS4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCS4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(F)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(F)c(C4CCCNC4)nc23)cn1.

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

The InChIKey is UYYOOKHFNDYQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18FN7.C14H16BrN7O.2C14H16BrN7S.C14H16BrN7/c2*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;3*1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10;1-21-7-9(5-18-21)10-6-19-22-13(16)11(15)12(20-14(10)22)8-2-3-17-4-8/h2*6-9,18H,2-5,17H2,1H3;3*4-5,7,10,17H,2-3,6,16H2,1H3;5-8,17H,2-4,16H2,1H3.

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

6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine);bis(6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine) has a molecular weight of 2159.78 g/mol, XLogP of 9.03, 12 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-(1-methylpyrazol-4-yl)-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine);bis(6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine) is sourced from PubChem (CID 161232661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161232661 — identifiers, structure, computed properties (public domain)

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