2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide

C21H24BrClN6O — CID 143440902

About 2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide

2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide (PubChem CID 143440902) has the molecular formula C21H24BrClN6O and a molecular weight of 491.82 g/mol. Its IUPAC name is 2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide
• PubChem CID: 143440902
• Molecular Formula: C21H24BrClN6O
• Molecular Weight: 491.82 g/mol
• Exact Mass: 490.09
• IUPAC Name: 2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide
• SMILES: NC(=O)N1CCCCC1CCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12
• InChI: InChI=1S/C21H24BrClN6O/c22-16-13-26-29-19(12-18(27-20(16)29)15-8-1-2-9-17(15)23)25-10-5-7-14-6-3-4-11-28(14)21(24)30/h1-2,8-9,12-14,25H,3-7,10-11H2,(H2,24,30)
• InChIKey: LCVGMNYYDWBDMA-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 88.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.82
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide?

The IUPAC name of 2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide (CID 143440902) is 2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide.

What is the SMILES notation for 2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide?

The canonical SMILES for 2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide is NC(=O)N1CCCCC1CCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12.

What is the InChIKey of 2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide?

The InChIKey is LCVGMNYYDWBDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrClN6O/c22-16-13-26-29-19(12-18(27-20(16)29)15-8-1-2-9-17(15)23)25-10-5-7-14-6-3-4-11-28(14)21(24)30/h1-2,8-9,12-14,25H,3-7,10-11H2,(H2,24,30).

What are the key properties of 2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide?

2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide has a molecular weight of 491.82 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]piperidine-1-carboxamide is sourced from PubChem (CID 143440902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).