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

C21H21FN6O3S — CID 137404361

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

1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea (PubChem CID 137404361) has the molecular formula C21H21FN6O3S and a molecular weight of 456.50 g/mol. Its IUPAC name is 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea.

Molecular Properties

• Compound Name: 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea
• PubChem CID: 137404361
• Molecular Formula: C21H21FN6O3S
• Molecular Weight: 456.50 g/mol
• Exact Mass: 456.14
• IUPAC Name: 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea
• SMILES: CN(C)c1cnnc(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)c1
• InChI: InChI=1S/C21H21FN6O3S/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/h6-12H,3-5H2,1-2H3,(H2,25,27,29)
• InChIKey: OLBNJPFDGOWWNG-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 117.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea (CID 137404361) is 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea.

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

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

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

The InChIKey is OLBNJPFDGOWWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O3S/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/h6-12H,3-5H2,1-2H3,(H2,25,27,29).

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

1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea has a molecular weight of 456.50 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)urea is sourced from PubChem (CID 137404361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).