N-[4-(7-amino-6-bromo-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C28H30BrFN14O — CID 71198922

About N-[4-(7-amino-6-bromo-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-[4-(7-amino-6-bromo-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71198922) has the molecular formula C28H30BrFN14O and a molecular weight of 677.55 g/mol. Its IUPAC name is N-[4-(7-amino-6-bromo-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-[4-(7-amino-6-bromo-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 71198922
• Molecular Formula: C28H30BrFN14O
• Molecular Weight: 677.55 g/mol
• Exact Mass: 676.19
• IUPAC Name: N-[4-(7-amino-6-bromo-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cn1cc(-c2cnn3c(Nn4cc(-c5cnn6c(N)c(Br)c(C7CNCCO7)nc56)cn4)c(F)c(C4CCCNC4)nc23)cn1
• InChI: InChI=1S/C28H30BrFN14O/c1-41-13-16(8-34-41)18-11-37-44-27(18)38-23(15-3-2-4-32-7-15)22(30)28(44)40-42-14-17(9-35-42)19-10-36-43-25(31)21(29)24(39-26(19)43)20-12-33-5-6-45-20/h8-11,13-15,20,32-33,40H,2-7,12,31H2,1H3
• InChIKey: BRCASDPREOZWNT-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 167.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.55
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of N-[4-(7-amino-6-bromo-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 71198922) is N-[4-(7-amino-6-bromo-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

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

The canonical SMILES for N-[4-(7-amino-6-bromo-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(Nn4cc(-c5cnn6c(N)c(Br)c(C7CNCCO7)nc56)cn4)c(F)c(C4CCCNC4)nc23)cn1.

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

The InChIKey is BRCASDPREOZWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30BrFN14O/c1-41-13-16(8-34-41)18-11-37-44-27(18)38-23(15-3-2-4-32-7-15)22(30)28(44)40-42-14-17(9-35-42)19-10-36-43-25(31)21(29)24(39-26(19)43)20-12-33-5-6-45-20/h8-11,13-15,20,32-33,40H,2-7,12,31H2,1H3.

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

N-[4-(7-amino-6-bromo-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 677.55 g/mol, XLogP of 2.52, 6 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(7-amino-6-bromo-5-morpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71198922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).