5-[[2-[4-[5-chloro-2-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

C29H28ClF3N6O5 — CID 175522292

About 5-[[2-[4-[5-chloro-2-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

5-[[2-[4-[5-chloro-2-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 175522292) has the molecular formula C29H28ClF3N6O5 and a molecular weight of 633.03 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[4-[5-chloro-2-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
• PubChem CID: 175522292
• Molecular Formula: C29H28ClF3N6O5
• Molecular Weight: 633.03 g/mol
• Exact Mass: 632.18
• IUPAC Name: 5-[[2-[4-[5-chloro-2-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)ccc3-c3cnn(C(F)C(F)F)c3)cc2=O)cn1
• InChI: InChI=1S/C29H28ClF3N6O5/c1-34-28(41)22-7-5-18(13-35-22)37-29(42)23(8-9-43-2)38-15-24(44-3)21(11-25(38)40)20-10-17(30)4-6-19(20)16-12-36-39(14-16)27(33)26(31)32/h4-7,10-15,23,26-27H,8-9H2,1-3H3,(H,34,41)(H,37,42)
• InChIKey: MLIIZJNSUVDUOQ-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 129.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	633.03
LogP ≤ 5	4.74
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-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[[2-[4-[5-chloro-2-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (CID 175522292) is 5-[[2-[4-[5-chloro-2-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[[2-[4-[5-chloro-2-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[[2-[4-[5-chloro-2-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)ccc3-c3cnn(C(F)C(F)F)c3)cc2=O)cn1.

What is the InChIKey of 5-[[2-[4-[5-chloro-2-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?

The InChIKey is MLIIZJNSUVDUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N6O5/c1-34-28(41)22-7-5-18(13-35-22)37-29(42)23(8-9-43-2)38-15-24(44-3)21(11-25(38)40)20-10-17(30)4-6-19(20)16-12-36-39(14-16)27(33)26(31)32/h4-7,10-15,23,26-27H,8-9H2,1-3H3,(H,34,41)(H,37,42).

What are the key properties of 5-[[2-[4-[5-chloro-2-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?

5-[[2-[4-[5-chloro-2-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 633.03 g/mol, XLogP of 4.74, 12 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-[1-(1,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 175522292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).