N-[4-(7-amino-6-bromo-5-pyrrolidin-3-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

C28H30BrFN14 — CID 71199071

About N-[4-(7-amino-6-bromo-5-pyrrolidin-3-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-pyrrolidin-3-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 71199071) has the molecular formula C28H30BrFN14 and a molecular weight of 661.55 g/mol. Its IUPAC name is N-[4-(7-amino-6-bromo-5-pyrrolidin-3-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-pyrrolidin-3-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: 71199071
• Molecular Formula: C28H30BrFN14
• Molecular Weight: 661.55 g/mol
• Exact Mass: 660.19
• IUPAC Name: N-[4-(7-amino-6-bromo-5-pyrrolidin-3-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(C7CCNC7)nc56)cn4)c(F)c(C4CCCNC4)nc23)cn1
• InChI: InChI=1S/C28H30BrFN14/c1-41-13-17(9-34-41)19-12-37-44-27(19)39-24(15-3-2-5-32-7-15)22(30)28(44)40-42-14-18(10-35-42)20-11-36-43-25(31)21(29)23(38-26(20)43)16-4-6-33-8-16/h9-16,32-33,40H,2-8,31H2,1H3
• InChIKey: AXCNJPOBBWFHKL-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 158.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.55
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-amino-6-bromo-5-pyrrolidin-3-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-pyrrolidin-3-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 71199071) is N-[4-(7-amino-6-bromo-5-pyrrolidin-3-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-pyrrolidin-3-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-pyrrolidin-3-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(C7CCNC7)nc56)cn4)c(F)c(C4CCCNC4)nc23)cn1.

What is the InChIKey of N-[4-(7-amino-6-bromo-5-pyrrolidin-3-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 AXCNJPOBBWFHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30BrFN14/c1-41-13-17(9-34-41)19-12-37-44-27(19)39-24(15-3-2-5-32-7-15)22(30)28(44)40-42-14-18(10-35-42)20-11-36-43-25(31)21(29)23(38-26(20)43)16-4-6-33-8-16/h9-16,32-33,40H,2-8,31H2,1H3.

What are the key properties of N-[4-(7-amino-6-bromo-5-pyrrolidin-3-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-pyrrolidin-3-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 661.55 g/mol, XLogP of 2.94, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(7-amino-6-bromo-5-pyrrolidin-3-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 71199071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).