6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide

C21H20ClN7O4 — CID 155227083

About 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide

6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 155227083) has the molecular formula C21H20ClN7O4 and a molecular weight of 469.89 g/mol. Its IUPAC name is 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide
• PubChem CID: 155227083
• Molecular Formula: C21H20ClN7O4
• Molecular Weight: 469.89 g/mol
• Exact Mass: 469.13
• IUPAC Name: 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide
• SMILES: CCONC(=O)c1c(NC(=O)c2cc(OC)nn2-c2ncccc2Cl)c(C)cc2ccnn12
• InChI: InChI=1S/C21H20ClN7O4/c1-4-33-27-21(31)18-17(12(2)10-13-7-9-24-28(13)18)25-20(30)15-11-16(32-3)26-29(15)19-14(22)6-5-8-23-19/h5-11H,4H2,1-3H3,(H,25,30)(H,27,31)
• InChIKey: NYCBUGMSDBFVAP-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 124.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.89
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide?

The IUPAC name of 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide (CID 155227083) is 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide.

What is the SMILES notation for 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide?

The canonical SMILES for 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide is CCONC(=O)c1c(NC(=O)c2cc(OC)nn2-c2ncccc2Cl)c(C)cc2ccnn12.

What is the InChIKey of 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide?

The InChIKey is NYCBUGMSDBFVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7O4/c1-4-33-27-21(31)18-17(12(2)10-13-7-9-24-28(13)18)25-20(30)15-11-16(32-3)26-29(15)19-14(22)6-5-8-23-19/h5-11H,4H2,1-3H3,(H,25,30)(H,27,31).

What are the key properties of 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide?

6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 469.89 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[1-(3-chloro-2-pyridinyl)-3-methoxypyrazole-5-carbonyl]amino]-N-ethoxy-5-methylpyrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 155227083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).