2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide

C38H44Cl2N12O9S2 — CID 157397880

About 2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide

2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 157397880) has the molecular formula C38H44Cl2N12O9S2 and a molecular weight of 947.88 g/mol. Its IUPAC name is 2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: 2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide
• PubChem CID: 157397880
• Molecular Formula: C38H44Cl2N12O9S2
• Molecular Weight: 947.88 g/mol
• Exact Mass: 946.22
• IUPAC Name: 2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide
• SMILES: CC1(CCOc2ccn(-c3ccc(C(=O)O)c(Cl)n3)n2)CC1.Cc1[nH]ncc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCCC3(C)CC3)n2)nc1Cl.Cc1[nH]ncc1S(N)(=O)=O
• InChI: InChI=1S/C19H21ClN6O4S.C15H16ClN3O3.C4H7N3O2S/c1-12-14(11-21-23-12)31(28,29)25-18(27)13-3-4-15(22-17(13)20)26-9-5-16(24-26)30-10-8-19(2)6-7-19;1-15(5-6-15)7-9-22-12-4-8-19(18-12)11-3-2-10(14(20)21)13(16)17-11;1-3-4(2-6-7-3)10(5,8)9/h3-5,9,11H,6-8,10H2,1-2H3,(H,21,23)(H,25,27);2-4,8H,5-7,9H2,1H3,(H,20,21);2H,1H3,(H,6,7)(H2,5,8,9)
• InChIKey: BMUGOWLECNOROV-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 297.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	947.88
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

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-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide?

The IUPAC name of 2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide (CID 157397880) is 2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide.

What is the SMILES notation for 2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide?

The canonical SMILES for 2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide is CC1(CCOc2ccn(-c3ccc(C(=O)O)c(Cl)n3)n2)CC1.Cc1[nH]ncc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCCC3(C)CC3)n2)nc1Cl.Cc1[nH]ncc1S(N)(=O)=O.

What is the InChIKey of 2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide?

The InChIKey is BMUGOWLECNOROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O4S.C15H16ClN3O3.C4H7N3O2S/c1-12-14(11-21-23-12)31(28,29)25-18(27)13-3-4-15(22-17(13)20)26-9-5-16(24-26)30-10-8-19(2)6-7-19;1-15(5-6-15)7-9-22-12-4-8-19(18-12)11-3-2-10(14(20)21)13(16)17-11;1-3-4(2-6-7-3)10(5,8)9/h3-5,9,11H,6-8,10H2,1-2H3,(H,21,23)(H,25,27);2-4,8H,5-7,9H2,1H3,(H,20,21);2H,1H3,(H,6,7)(H2,5,8,9).

What are the key properties of 2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide?

2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 947.88 g/mol, XLogP of 5.19, 15 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyridine-3-carboxamide;2-chloro-6-[3-[2-(1-methylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 157397880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).