5-[[2-[4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide

C27H25ClF2N6O5 — CID 135205957

About 5-[[2-[4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide

5-[[2-[4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (PubChem CID 135205957) has the molecular formula C27H25ClF2N6O5 and a molecular weight of 586.98 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
• PubChem CID: 135205957
• Molecular Formula: C27H25ClF2N6O5
• Molecular Weight: 586.98 g/mol
• Exact Mass: 586.15
• IUPAC Name: 5-[[2-[4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
• SMILES: COCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cnn(C(F)F)c2)cc1=O
• InChI: InChI=1S/C27H25ClF2N6O5/c1-40-8-7-22(26(39)34-17-4-6-21(25(31)38)32-12-17)35-14-23(41-2)20(10-24(35)37)19-9-16(28)3-5-18(19)15-11-33-36(13-15)27(29)30/h3-6,9-14,22,27H,7-8H2,1-2H3,(H2,31,38)(H,34,39)
• InChIKey: ZDGFODUVDKHNBN-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 143.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.98
LogP ≤ 5	4.15
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-(difluoromethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?

The IUPAC name of 5-[[2-[4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (CID 135205957) is 5-[[2-[4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide.

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

The canonical SMILES for 5-[[2-[4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide is COCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cnn(C(F)F)c2)cc1=O.

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

The InChIKey is ZDGFODUVDKHNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF2N6O5/c1-40-8-7-22(26(39)34-17-4-6-21(25(31)38)32-12-17)35-14-23(41-2)20(10-24(35)37)19-9-16(28)3-5-18(19)15-11-33-36(13-15)27(29)30/h3-6,9-14,22,27H,7-8H2,1-2H3,(H2,31,38)(H,34,39).

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

5-[[2-[4-[5-chloro-2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide has a molecular weight of 586.98 g/mol, XLogP of 4.15, 11 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-(difluoromethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 135205957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).