2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid

C34H31ClF4N8O7S — CID 159154837

About 2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid

2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 159154837) has the molecular formula C34H31ClF4N8O7S and a molecular weight of 807.18 g/mol. Its IUPAC name is 2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 159154837
• Molecular Formula: C34H31ClF4N8O7S
• Molecular Weight: 807.18 g/mol
• Exact Mass: 806.17
• IUPAC Name: 2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
• SMILES: Nc1nc(-n2ccc(OCC3(C(F)F)CC3)n2)ccc1C(=O)NS(=O)(=O)c1ccccc1.O=C(O)c1ccc(-n2ccc(OCC3(C(F)F)CC3)n2)nc1Cl
• InChI: InChI=1S/C20H19F2N5O4S.C14H12ClF2N3O3/c21-19(22)20(9-10-20)12-31-16-8-11-27(25-16)15-7-6-14(17(23)24-15)18(28)26-32(29,30)13-4-2-1-3-5-13;15-11-8(12(21)22)1-2-9(18-11)20-6-3-10(19-20)23-7-14(4-5-14)13(16)17/h1-8,11,19H,9-10,12H2,(H2,23,24)(H,26,28);1-3,6,13H,4-5,7H2,(H,21,22)
• InChIKey: KJTIDSFVZPPKNV-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 206.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	807.18
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid (CID 159154837) is 2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid is Nc1nc(-n2ccc(OCC3(C(F)F)CC3)n2)ccc1C(=O)NS(=O)(=O)c1ccccc1.O=C(O)c1ccc(-n2ccc(OCC3(C(F)F)CC3)n2)nc1Cl.

What is the InChIKey of 2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?

The InChIKey is KJTIDSFVZPPKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O4S.C14H12ClF2N3O3/c21-19(22)20(9-10-20)12-31-16-8-11-27(25-16)15-7-6-14(17(23)24-15)18(28)26-32(29,30)13-4-2-1-3-5-13;15-11-8(12(21)22)1-2-9(18-11)20-6-3-10(19-20)23-7-14(4-5-14)13(16)17/h1-8,11,19H,9-10,12H2,(H2,23,24)(H,26,28);1-3,6,13H,4-5,7H2,(H,21,22).

What are the key properties of 2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?

2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 807.18 g/mol, XLogP of 5.44, 14 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(benzenesulfonyl)-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[[1-(difluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 159154837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).