N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide

C28H36N8O3S — CID 163266595

About N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide

N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 163266595) has the molecular formula C28H36N8O3S and a molecular weight of 564.72 g/mol. Its IUPAC name is N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide
• PubChem CID: 163266595
• Molecular Formula: C28H36N8O3S
• Molecular Weight: 564.72 g/mol
• Exact Mass: 564.26
• IUPAC Name: N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide
• SMILES: Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(CN5CCC(N(C)S(C)(=O)=O)CC5)cc4n3)n2)c1
• InChI: InChI=1S/C28H36N8O3S/c1-21-5-4-6-22(17-21)25-9-12-35(31-25)26-19-28(34-13-15-39-16-14-34)36-27(29-26)18-23(30-36)20-33-10-7-24(8-11-33)32(2)40(3,37)38/h4-6,9,12,17-19,24H,7-8,10-11,13-16,20H2,1-3H3
• InChIKey: YHDLBVLIVFBYRG-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 101.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.72
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide?

The IUPAC name of N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide (CID 163266595) is N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide.

What is the SMILES notation for N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide?

The canonical SMILES for N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)n4nc(CN5CCC(N(C)S(C)(=O)=O)CC5)cc4n3)n2)c1.

What is the InChIKey of N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide?

The InChIKey is YHDLBVLIVFBYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8O3S/c1-21-5-4-6-22(17-21)25-9-12-35(31-25)26-19-28(34-13-15-39-16-14-34)36-27(29-26)18-23(30-36)20-33-10-7-24(8-11-33)32(2)40(3,37)38/h4-6,9,12,17-19,24H,7-8,10-11,13-16,20H2,1-3H3.

What are the key properties of N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide?

N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 564.72 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[1-[[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 163266595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).