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

C28H24ClF3N6O5 — CID 121246719

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

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 121246719) has the molecular formula C28H24ClF3N6O5 and a molecular weight of 616.98 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 121246719
• Molecular Formula: C28H24ClF3N6O5
• Molecular Weight: 616.98 g/mol
• Exact Mass: 616.14
• IUPAC Name: 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COCCC(C(=O)Nc1ccn2ncc(C(=O)NCC(F)(F)F)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
• InChI: InChI=1S/C28H24ClF3N6O5/c1-42-8-6-22(37-14-24(43-2)20(11-25(37)39)19-9-17(29)4-3-16(19)12-33)27(41)36-18-5-7-38-23(10-18)21(13-35-38)26(40)34-15-28(30,31)32/h3-5,7,9-11,13-14,22H,6,8,15H2,1-2H3,(H,34,40)(H,36,41)
• InChIKey: VZEPGFGHCQNEFC-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 139.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	616.98
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 121246719) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)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-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is COCCC(C(=O)Nc1ccn2ncc(C(=O)NCC(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-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is VZEPGFGHCQNEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClF3N6O5/c1-42-8-6-22(37-14-24(43-2)20(11-25(37)39)19-9-17(29)4-3-16(19)12-33)27(41)36-18-5-7-38-23(10-18)21(13-35-38)26(40)34-15-28(30,31)32/h3-5,7,9-11,13-14,22H,6,8,15H2,1-2H3,(H,34,40)(H,36,41).

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

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 616.98 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 9 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-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 121246719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).