2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide

C19H19ClF2N6O4S — CID 134587425

About 2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide

2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide (PubChem CID 134587425) has the molecular formula C19H19ClF2N6O4S and a molecular weight of 500.92 g/mol. Its IUPAC name is 2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
• PubChem CID: 134587425
• Molecular Formula: C19H19ClF2N6O4S
• Molecular Weight: 500.92 g/mol
• Exact Mass: 500.08
• IUPAC Name: 2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
• SMILES: Cc1c(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC4(C)CC4(F)F)n3)nc2Cl)cnn1C
• InChI: InChI=1S/C19H19ClF2N6O4S/c1-11-13(8-23-27(11)3)33(30,31)26-17(29)12-4-5-14(24-16(12)20)28-7-6-15(25-28)32-10-18(2)9-19(18,21)22/h4-8H,9-10H2,1-3H3,(H,26,29)
• InChIKey: KUEPKFSUOGJECZ-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 121.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.92
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?

The IUPAC name of 2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide (CID 134587425) is 2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?

The canonical SMILES for 2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide is Cc1c(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC4(C)CC4(F)F)n3)nc2Cl)cnn1C.

What is the InChIKey of 2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?

The InChIKey is KUEPKFSUOGJECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N6O4S/c1-11-13(8-23-27(11)3)33(30,31)26-17(29)12-4-5-14(24-16(12)20)28-7-6-15(25-28)32-10-18(2)9-19(18,21)22/h4-8H,9-10H2,1-3H3,(H,26,29).

What are the key properties of 2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide?

2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide has a molecular weight of 500.92 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[3-[(2,2-difluoro-1-methylcyclopropyl)methoxy]pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 134587425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).