6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine)

C79H91Br3F2N28OS — CID 158684457

About 6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine)

6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine) (PubChem CID 158684457) has the molecular formula C79H91Br3F2N28OS and a molecular weight of 1758.57 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine).

Molecular Properties

• Compound Name: 6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine)
• PubChem CID: 158684457
• Molecular Formula: C79H91Br3F2N28OS
• Molecular Weight: 1758.57 g/mol
• Exact Mass: 1754.52
• IUPAC Name: 6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine)
• SMILES: Cn1cc(-c2cnn3c(N)c(F)c(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(F)c(C4CCCCC4)nc23)cn1.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCCCO4)nc23)c1.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCCCS4)nc23)c1.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCNC4)nc23)c1
• InChI: InChI=1S/C16H18BrN5O.C16H18BrN5S.2C16H19FN6.C15H17BrN6/c2*1-21-6-5-10(9-21)11-8-19-22-15(18)13(17)14(20-16(11)22)12-4-2-3-7-23-12;2*1-22-9-11(7-19-22)12-8-20-23-15(18)13(17)14(21-16(12)23)10-5-3-2-4-6-10;1-21-5-3-10(8-21)11-7-19-22-14(17)12(16)13(20-15(11)22)9-2-4-18-6-9/h2*5-6,8-9,12H,2-4,7,18H2,1H3;2*7-10H,2-6,18H2,1H3;3,5,7-9,18H,2,4,6,17H2,1H3
• InChIKey: IFNZLOSVLKCGCU-UHFFFAOYSA-N
• XLogP: 15.31
• TPSA: 352.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1758.57
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine)?

The IUPAC name of 6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine) (CID 158684457) is 6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine).

What is the SMILES notation for 6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine)?

The canonical SMILES for 6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine) is Cn1cc(-c2cnn3c(N)c(F)c(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(F)c(C4CCCCC4)nc23)cn1.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCCCO4)nc23)c1.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCCCS4)nc23)c1.Cn1ccc(-c2cnn3c(N)c(Br)c(C4CCNC4)nc23)c1.

What is the InChIKey of 6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine)?

The InChIKey is IFNZLOSVLKCGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5O.C16H18BrN5S.2C16H19FN6.C15H17BrN6/c2*1-21-6-5-10(9-21)11-8-19-22-15(18)13(17)14(20-16(11)22)12-4-2-3-7-23-12;2*1-22-9-11(7-19-22)12-8-20-23-15(18)13(17)14(21-16(12)23)10-5-3-2-4-6-10;1-21-5-3-10(8-21)11-7-19-22-14(17)12(16)13(20-15(11)22)9-2-4-18-6-9/h2*5-6,8-9,12H,2-4,7,18H2,1H3;2*7-10H,2-6,18H2,1H3;3,5,7-9,18H,2,4,6,17H2,1H3.

What are the key properties of 6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine)?

6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine) has a molecular weight of 1758.57 g/mol, XLogP of 15.31, 10 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-(1-methylpyrrol-3-yl)-5-(oxan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrrol-3-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-6-fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine) is sourced from PubChem (CID 158684457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).