N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide

C₂₂H₂₄BrN₇O₂S — CID 58173404

About N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide

N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 58173404) has the molecular formula C₂₂H₂₄BrN₇O₂S and a molecular weight of 530.45 g/mol. Its IUPAC name is N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide
• PubChem CID: 58173404
• Molecular Formula: C₂₂H₂₄BrN₇O₂S
• Molecular Weight: 530.45 g/mol
• Exact Mass: 529.09
• IUPAC Name: N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide
• SMILES: CS(=O)(=O)NCC1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1
• InChI: InChI=1S/C22H24BrN7O2S/c1-33(31,32)27-11-14-6-8-29(9-7-14)22-19(23)20(24)30-21(28-22)17(13-26-30)16-10-15-4-2-3-5-18(15)25-12-16/h2-5,10,12-14,27H,6-9,11,24H2,1H3
• InChIKey: NIWYKBVQARXJHJ-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 118.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.45
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide?

The IUPAC name of N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide (CID 58173404) is N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide.

What is the SMILES notation for N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide?

The canonical SMILES for N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.

What is the InChIKey of N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide?

The InChIKey is NIWYKBVQARXJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN7O2S/c1-33(31,32)27-11-14-6-8-29(9-7-14)22-19(23)20(24)30-21(28-22)17(13-26-30)16-10-15-4-2-3-5-18(15)25-12-16/h2-5,10,12-14,27H,6-9,11,24H2,1H3.

What are the key properties of N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide?

N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 530.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 58173404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58173404 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.