6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine

C55H63ClN24O8S4 — CID 158694799

About 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine

6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine (PubChem CID 158694799) has the molecular formula C55H63ClN24O8S4 and a molecular weight of 1351.99 g/mol. Its IUPAC name is 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine.

Molecular Properties

• Compound Name: 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine
• PubChem CID: 158694799
• Molecular Formula: C55H63ClN24O8S4
• Molecular Weight: 1351.99 g/mol
• Exact Mass: 1350.38
• IUPAC Name: 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine
• SMILES: CNC(=O)c1nnc(Cl)cc1Nc1ncccc1SC.CNC(=O)c1nnc(Nc2ccn(C)n2)cc1Nc1ncccc1S(C)(=O)=O.CNC(=O)c1nnc(Nc2ccn(C)n2)cc1Nc1ncccc1SC.Cc1ccc(S(=O)(=O)O)cc1.Cn1ccc(N)n1
• InChI: InChI=1S/C16H18N8O3S.C16H18N8OS.C12H12ClN5OS.C7H8O3S.C4H7N3/c1-17-16(25)14-10(19-15-11(28(3,26)27)5-4-7-18-15)9-13(21-22-14)20-12-6-8-24(2)23-12;1-17-16(25)14-10(19-15-11(26-3)5-4-7-18-15)9-13(21-22-14)20-12-6-8-24(2)23-12;1-14-12(19)10-7(6-9(13)17-18-10)16-11-8(20-2)4-3-5-15-11;1-6-2-4-7(5-3-6)11(8,9)10;1-7-3-2-4(5)6-7/h4-9H,1-3H3,(H,17,25)(H2,18,19,20,21,23);4-9H,1-3H3,(H,17,25)(H2,18,19,20,21,23);3-6H,1-2H3,(H,14,19)(H,15,16,17);2-5H,1H3,(H,8,9,10);2-3H,1H3,(H2,5,6)
• InChIKey: LUFZEPXHBOFYBK-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 431.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1351.99
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine?

The IUPAC name of 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine (CID 158694799) is 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine.

What is the SMILES notation for 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine?

The canonical SMILES for 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine is CNC(=O)c1nnc(Cl)cc1Nc1ncccc1SC.CNC(=O)c1nnc(Nc2ccn(C)n2)cc1Nc1ncccc1S(C)(=O)=O.CNC(=O)c1nnc(Nc2ccn(C)n2)cc1Nc1ncccc1SC.Cc1ccc(S(=O)(=O)O)cc1.Cn1ccc(N)n1.

What is the InChIKey of 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine?

The InChIKey is LUFZEPXHBOFYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O3S.C16H18N8OS.C12H12ClN5OS.C7H8O3S.C4H7N3/c1-17-16(25)14-10(19-15-11(28(3,26)27)5-4-7-18-15)9-13(21-22-14)20-12-6-8-24(2)23-12;1-17-16(25)14-10(19-15-11(26-3)5-4-7-18-15)9-13(21-22-14)20-12-6-8-24(2)23-12;1-14-12(19)10-7(6-9(13)17-18-10)16-11-8(20-2)4-3-5-15-11;1-6-2-4-7(5-3-6)11(8,9)10;1-7-3-2-4(5)6-7/h4-9H,1-3H3,(H,17,25)(H2,18,19,20,21,23);4-9H,1-3H3,(H,17,25)(H2,18,19,20,21,23);3-6H,1-2H3,(H,14,19)(H,15,16,17);2-5H,1H3,(H,8,9,10);2-3H,1H3,(H2,5,6).

What are the key properties of 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine?

6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine has a molecular weight of 1351.99 g/mol, XLogP of 6.62, 17 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-methyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine is sourced from PubChem (CID 158694799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).