5-[1-[6-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromo-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C40H41BrN16 — CID 143656308

About 5-[1-[6-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromo-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

5-[1-[6-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromo-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143656308) has the molecular formula C40H41BrN16 and a molecular weight of 825.78 g/mol. Its IUPAC name is 5-[1-[6-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromo-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-[1-[6-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromo-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 143656308
• Molecular Formula: C40H41BrN16
• Molecular Weight: 825.78 g/mol
• Exact Mass: 824.29
• IUPAC Name: 5-[1-[6-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromo-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Nc1cc(C2CCCNC2)nc2c(-c3cnn(Cc4ccc(N5CCCC(c6nc7c(-c8cnn(Cc9ccccn9)c8)cnn7c(N)c6Br)C5)cn4)c3)cnn12
• InChI: InChI=1S/C40H41BrN16/c41-36-37(52-40-33(19-50-57(40)38(36)43)28-16-47-54(22-28)23-29-7-1-2-11-45-29)26-6-4-12-53(20-26)31-9-8-30(46-17-31)24-55-21-27(15-48-55)32-18-49-56-35(42)13-34(51-39(32)56)25-5-3-10-44-14-25/h1-2,7-9,11,13,15-19,21-22,25-26,44H,3-6,10,12,14,20,23-24,42-43H2
• InChIKey: PHQQMDJDIYNHQM-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 189.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	825.78
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 5-[1-[6-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromo-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 143656308) is 5-[1-[6-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromo-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

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

The canonical SMILES for 5-[1-[6-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromo-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(C2CCCNC2)nc2c(-c3cnn(Cc4ccc(N5CCCC(c6nc7c(-c8cnn(Cc9ccccn9)c8)cnn7c(N)c6Br)C5)cn4)c3)cnn12.

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

The InChIKey is PHQQMDJDIYNHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41BrN16/c41-36-37(52-40-33(19-50-57(40)38(36)43)28-16-47-54(22-28)23-29-7-1-2-11-45-29)26-6-4-12-53(20-26)31-9-8-30(46-17-31)24-55-21-27(15-48-55)32-18-49-56-35(42)13-34(51-39(32)56)25-5-3-10-44-14-25/h1-2,7-9,11,13,15-19,21-22,25-26,44H,3-6,10,12,14,20,23-24,42-43H2.

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

5-[1-[6-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromo-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 825.78 g/mol, XLogP of 5.16, 9 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[6-[[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromo-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143656308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).