1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C19H23N5O3S — CID 137403949

About 1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 137403949) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

• Compound Name: 1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
• PubChem CID: 137403949
• Molecular Formula: C19H23N5O3S
• Molecular Weight: 401.49 g/mol
• Exact Mass: 401.15
• IUPAC Name: 1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
• SMILES: CN(C)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1
• InChI: InChI=1S/C19H23N5O3S/c1-24(2)16-9-10-17(22-21-16)28(26,27)23-19(25)20-18-14-7-3-5-12(14)11-13-6-4-8-15(13)18/h9-11H,3-8H2,1-2H3,(H2,20,23,25)
• InChIKey: WBSHCTPKCLRFAS-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.49
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

The IUPAC name of 1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 137403949) is 1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

What is the SMILES notation for 1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

The canonical SMILES for 1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is CN(C)c1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1.

What is the InChIKey of 1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

The InChIKey is WBSHCTPKCLRFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-24(2)16-9-10-17(22-21-16)28(26,27)23-19(25)20-18-14-7-3-5-12(14)11-13-6-4-8-15(13)18/h9-11H,3-8H2,1-2H3,(H2,20,23,25).

What are the key properties of 1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?

1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 401.49 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 137403949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).