5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C29H26ClF3N6O6 — CID 121246654

About 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 121246654) has the molecular formula C29H26ClF3N6O6 and a molecular weight of 647.01 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 121246654
• Molecular Formula: C29H26ClF3N6O6
• Molecular Weight: 647.01 g/mol
• Exact Mass: 646.16
• IUPAC Name: 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COCCC(C(=O)Nc1ccn2ncc(C(=O)NCCOC(F)(F)F)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
• InChI: InChI=1S/C29H26ClF3N6O6/c1-43-9-6-23(38-16-25(44-2)21(13-26(38)40)20-11-18(30)4-3-17(20)14-34)28(42)37-19-5-8-39-24(12-19)22(15-36-39)27(41)35-7-10-45-29(31,32)33/h3-5,8,11-13,15-16,23H,6-7,9-10H2,1-2H3,(H,35,41)(H,37,42)
• InChIKey: DDOFNAVOJKWETH-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 148.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	647.01
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 121246654) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is COCCC(C(=O)Nc1ccn2ncc(C(=O)NCCOC(F)(F)F)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O.

What is the InChIKey of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is DDOFNAVOJKWETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClF3N6O6/c1-43-9-6-23(38-16-25(44-2)21(13-26(38)40)20-11-18(30)4-3-17(20)14-34)28(42)37-19-5-8-39-24(12-19)22(15-36-39)27(41)35-7-10-45-29(31,32)33/h3-5,8,11-13,15-16,23H,6-7,9-10H2,1-2H3,(H,35,41)(H,37,42).

What are the key properties of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 647.01 g/mol, XLogP of 4.18, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-[2-(trifluoromethoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 121246654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).