5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide

C20H16Br2ClN7O3 — CID 155227053

About 5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide

5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 155227053) has the molecular formula C20H16Br2ClN7O3 and a molecular weight of 597.66 g/mol. Its IUPAC name is 5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide
• PubChem CID: 155227053
• Molecular Formula: C20H16Br2ClN7O3
• Molecular Weight: 597.66 g/mol
• Exact Mass: 594.94
• IUPAC Name: 5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide
• SMILES: COCCNC(=O)c1c(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c(Br)cc2ccnn12
• InChI: InChI=1S/C20H16Br2ClN7O3/c1-33-8-7-25-20(32)17-16(12(21)9-11-4-6-26-29(11)17)27-19(31)14-10-15(22)28-30(14)18-13(23)3-2-5-24-18/h2-6,9-10H,7-8H2,1H3,(H,25,32)(H,27,31)
• InChIKey: GDVAJERMYYIFAG-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 115.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.66
LogP ≤ 5	3.72
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 5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide?

The IUPAC name of 5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide (CID 155227053) is 5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide.

What is the SMILES notation for 5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide?

The canonical SMILES for 5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide is COCCNC(=O)c1c(NC(=O)c2cc(Br)nn2-c2ncccc2Cl)c(Br)cc2ccnn12.

What is the InChIKey of 5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide?

The InChIKey is GDVAJERMYYIFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2ClN7O3/c1-33-8-7-25-20(32)17-16(12(21)9-11-4-6-26-29(11)17)27-19(31)14-10-15(22)28-30(14)18-13(23)3-2-5-24-18/h2-6,9-10H,7-8H2,1H3,(H,25,32)(H,27,31).

What are the key properties of 5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide?

5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 597.66 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-N-(2-methoxyethyl)pyrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 155227053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).