5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate

C42H42F2N12O6S2 — CID 157084105

About 5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate

5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate (PubChem CID 157084105) has the molecular formula C42H42F2N12O6S2 and a molecular weight of 913.01 g/mol. Its IUPAC name is 5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate.

Molecular Properties

• Compound Name: 5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate
• PubChem CID: 157084105
• Molecular Formula: C42H42F2N12O6S2
• Molecular Weight: 913.01 g/mol
• Exact Mass: 912.28
• IUPAC Name: 5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate
• SMILES: CN(C)c1cnnc(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)c1.CN(C)c1cnnc(S(N)(=O)=O)c1.N#COc1c(-c2ccncc2)cc(F)c2c1CCC2
• InChI: InChI=1S/C21H21FN6O3S.C15H11FN2O.C6H10N4O2S/c1-28(2)14-10-19(26-24-12-14)32(30,31)27-21(29)25-20-16-5-3-4-15(16)18(22)11-17(20)13-6-8-23-9-7-13;16-14-8-13(10-4-6-18-7-5-10)15(19-9-17)12-3-1-2-11(12)14;1-10(2)5-3-6(9-8-4-5)13(7,11)12/h6-12H,3-5H2,1-2H3,(H2,25,27,29);4-8H,1-3H2;3-4H,1-2H3,(H2,7,11,12)
• InChIKey: ADWUHMVAOIOIAR-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 252.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	913.01
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate?

The IUPAC name of 5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate (CID 157084105) is 5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate.

What is the SMILES notation for 5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate?

The canonical SMILES for 5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate is CN(C)c1cnnc(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)c1.CN(C)c1cnnc(S(N)(=O)=O)c1.N#COc1c(-c2ccncc2)cc(F)c2c1CCC2.

What is the InChIKey of 5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate?

The InChIKey is ADWUHMVAOIOIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O3S.C15H11FN2O.C6H10N4O2S/c1-28(2)14-10-19(26-24-12-14)32(30,31)27-21(29)25-20-16-5-3-4-15(16)18(22)11-17(20)13-6-8-23-9-7-13;16-14-8-13(10-4-6-18-7-5-10)15(19-9-17)12-3-1-2-11(12)14;1-10(2)5-3-6(9-8-4-5)13(7,11)12/h6-12H,3-5H2,1-2H3,(H2,25,27,29);4-8H,1-3H2;3-4H,1-2H3,(H2,7,11,12).

What are the key properties of 5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate?

5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate has a molecular weight of 913.01 g/mol, XLogP of 5.17, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(dimethylamino)pyridazine-3-sulfonamide;1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea;(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl) cyanate is sourced from PubChem (CID 157084105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).