2-amino-1-[7-amino-6-bromo-3-[1-[[6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanol

C26H28Br2N14O — CID 121286573

About 2-amino-1-[7-amino-6-bromo-3-[1-[[6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanol

2-amino-1-[7-amino-6-bromo-3-[1-[[6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanol (PubChem CID 121286573) has the molecular formula C26H28Br2N14O and a molecular weight of 712.42 g/mol. Its IUPAC name is 2-amino-1-[7-amino-6-bromo-3-[1-[[6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanol.

Molecular Properties

• Compound Name: 2-amino-1-[7-amino-6-bromo-3-[1-[[6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanol
• PubChem CID: 121286573
• Molecular Formula: C26H28Br2N14O
• Molecular Weight: 712.42 g/mol
• Exact Mass: 710.09
• IUPAC Name: 2-amino-1-[7-amino-6-bromo-3-[1-[[6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanol
• SMILES: Cn1cc(-c2cnn3c(Nn4cc(-c5cnn6c(N)c(Br)c(C(O)CN)nc56)cn4)c(Br)c(C4CCCNC4)nc23)cn1
• InChI: InChI=1S/C26H28Br2N14O/c1-39-11-14(7-32-39)16-10-35-42-25(16)36-21(13-3-2-4-31-6-13)20(28)26(42)38-40-12-15(8-33-40)17-9-34-41-23(30)19(27)22(18(43)5-29)37-24(17)41/h7-13,18,31,38,43H,2-6,29-30H2,1H3
• InChIKey: XNXPNSBTIDJNIT-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 192.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.42
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 2-amino-1-[7-amino-6-bromo-3-[1-[[6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanol (CID 121286573) is 2-amino-1-[7-amino-6-bromo-3-[1-[[6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanol.

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

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

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

The InChIKey is XNXPNSBTIDJNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Br2N14O/c1-39-11-14(7-32-39)16-10-35-42-25(16)36-21(13-3-2-4-31-6-13)20(28)26(42)38-40-12-15(8-33-40)17-9-34-41-23(30)19(27)22(18(43)5-29)37-24(17)41/h7-13,18,31,38,43H,2-6,29-30H2,1H3.

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

2-amino-1-[7-amino-6-bromo-3-[1-[[6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanol has a molecular weight of 712.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[7-amino-6-bromo-3-[1-[[6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanol is sourced from PubChem (CID 121286573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).