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

C36H37Cl2N7O7S — CID 160837808

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

N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 160837808) has the molecular formula C36H37Cl2N7O7S and a molecular weight of 782.71 g/mol. Its IUPAC name is N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 160837808
• Molecular Formula: C36H37Cl2N7O7S
• Molecular Weight: 782.71 g/mol
• Exact Mass: 781.19
• IUPAC Name: N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
• SMILES: CCC1(COc2ccn(-c3ccc(C(=O)NS(=O)(=O)c4ccccc4)c(Cl)n3)n2)CC1.CCC1(COc2ccn(-c3ccc(C(=O)O)c(Cl)n3)n2)CC1
• InChI: InChI=1S/C21H21ClN4O4S.C15H16ClN3O3/c1-2-21(11-12-21)14-30-18-10-13-26(24-18)17-9-8-16(19(22)23-17)20(27)25-31(28,29)15-6-4-3-5-7-15;1-2-15(6-7-15)9-22-12-5-8-19(18-12)11-4-3-10(14(20)21)13(16)17-11/h3-10,13H,2,11-12,14H2,1H3,(H,25,27);3-5,8H,2,6-7,9H2,1H3,(H,20,21)
• InChIKey: SHQCINZHGZWNOJ-UHFFFAOYSA-N
• XLogP: 6.80
• TPSA: 180.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	782.71
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid (CID 160837808) is N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid.

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

The canonical SMILES for N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid is CCC1(COc2ccn(-c3ccc(C(=O)NS(=O)(=O)c4ccccc4)c(Cl)n3)n2)CC1.CCC1(COc2ccn(-c3ccc(C(=O)O)c(Cl)n3)n2)CC1.

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

The InChIKey is SHQCINZHGZWNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4S.C15H16ClN3O3/c1-2-21(11-12-21)14-30-18-10-13-26(24-18)17-9-8-16(19(22)23-17)20(27)25-31(28,29)15-6-4-3-5-7-15;1-2-15(6-7-15)9-22-12-5-8-19(18-12)11-4-3-10(14(20)21)13(16)17-11/h3-10,13H,2,11-12,14H2,1H3,(H,25,27);3-5,8H,2,6-7,9H2,1H3,(H,20,21).

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

N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 782.71 g/mol, XLogP of 6.80, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(benzenesulfonyl)-2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-[(1-ethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 160837808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).