1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one

C24H37BrN8O — CID 155270548

About 1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one

1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one (PubChem CID 155270548) has the molecular formula C24H37BrN8O and a molecular weight of 533.52 g/mol. Its IUPAC name is 1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one
• PubChem CID: 155270548
• Molecular Formula: C24H37BrN8O
• Molecular Weight: 533.52 g/mol
• Exact Mass: 532.23
• IUPAC Name: 1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one
• SMILES: Cc1nn(C2CN(CC(C)C)C2)cc1Nc1ncc(Br)c(NCCCN2CCC(C)(C)C2=O)n1
• InChI: InChI=1S/C24H37BrN8O/c1-16(2)12-31-13-18(14-31)33-15-20(17(3)30-33)28-23-27-11-19(25)21(29-23)26-8-6-9-32-10-7-24(4,5)22(32)34/h11,15-16,18H,6-10,12-14H2,1-5H3,(H2,26,27,28,29)
• InChIKey: DLBCINMGYSPPFR-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 91.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.52
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one?

The IUPAC name of 1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one (CID 155270548) is 1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one.

What is the SMILES notation for 1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one?

The canonical SMILES for 1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one is Cc1nn(C2CN(CC(C)C)C2)cc1Nc1ncc(Br)c(NCCCN2CCC(C)(C)C2=O)n1.

What is the InChIKey of 1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one?

The InChIKey is DLBCINMGYSPPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37BrN8O/c1-16(2)12-31-13-18(14-31)33-15-20(17(3)30-33)28-23-27-11-19(25)21(29-23)26-8-6-9-32-10-7-24(4,5)22(32)34/h11,15-16,18H,6-10,12-14H2,1-5H3,(H2,26,27,28,29).

What are the key properties of 1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one?

1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one has a molecular weight of 533.52 g/mol, XLogP of 4.06, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[[5-bromo-2-[[3-methyl-1-[1-(2-methylpropyl)azetidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]-3,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 155270548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).