2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide

C26H19Cl2F4N7O3 — CID 135204789

About 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide

2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide (PubChem CID 135204789) has the molecular formula C26H19Cl2F4N7O3 and a molecular weight of 624.38 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide.

Molecular Properties

• Compound Name: 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide
• PubChem CID: 135204789
• Molecular Formula: C26H19Cl2F4N7O3
• Molecular Weight: 624.38 g/mol
• Exact Mass: 623.09
• IUPAC Name: 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide
• SMILES: COc1cn(C(CC(F)F)C(=O)Nc2ccc3nn(C(F)F)cc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1
• InChI: InChI=1S/C26H19Cl2F4N7O3/c1-42-21-11-37(24(40)8-17(21)16-7-14(27)2-5-19(16)38-12-22(28)34-36-38)20(9-23(29)30)25(41)33-15-3-4-18-13(6-15)10-39(35-18)26(31)32/h2-8,10-12,20,23,26H,9H2,1H3,(H,33,41)
• InChIKey: RTIMPDQMXMBUMW-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 108.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.38
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide?

The IUPAC name of 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide (CID 135204789) is 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide.

What is the SMILES notation for 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide?

The canonical SMILES for 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide is COc1cn(C(CC(F)F)C(=O)Nc2ccc3nn(C(F)F)cc3c2)c(=O)cc1-c1cc(Cl)ccc1-n1cc(Cl)nn1.

What is the InChIKey of 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide?

The InChIKey is RTIMPDQMXMBUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2F4N7O3/c1-42-21-11-37(24(40)8-17(21)16-7-14(27)2-5-19(16)38-12-22(28)34-36-38)20(9-23(29)30)25(41)33-15-3-4-18-13(6-15)10-39(35-18)26(31)32/h2-8,10-12,20,23,26H,9H2,1H3,(H,33,41).

What are the key properties of 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide?

2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide has a molecular weight of 624.38 g/mol, XLogP of 5.99, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(difluoromethyl)indazol-5-yl]-4,4-difluorobutanamide is sourced from PubChem (CID 135204789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).