1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea

C110H130F2N28O19S5 — CID 158584508

About 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea

1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea (PubChem CID 158584508) has the molecular formula C110H130F2N28O19S5 and a molecular weight of 2346.76 g/mol. Its IUPAC name is 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea.

Molecular Properties

• Compound Name: 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea
• PubChem CID: 158584508
• Molecular Formula: C110H130F2N28O19S5
• Molecular Weight: 2346.76 g/mol
• Exact Mass: 2344.86
• IUPAC Name: 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea
• SMILES: CN(C)c1cnnc(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)c1.COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cc(N(C)C)cnn2)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)N(C)C2CCN(C)C2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)N(C)CC2CCCN2C)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc(N(C)C)cnn2)CCC3)ccn1
• InChI: InChI=1S/C23H31N5O4S.C22H25FN6O4S.C22H24N6O4S.C22H29N5O4S.C21H21FN6O3S/c1-27-13-5-7-18(27)15-28(2)33(30,31)26-23(29)25-22-19-8-4-6-16(19)9-10-20(22)17-11-12-24-21(14-17)32-3;1-13(2)17-9-15(23)10-18(14-6-7-24-19(8-14)33-5)21(17)26-22(30)28-34(31,32)20-11-16(29(3)4)12-25-27-20;1-28(2)16-12-20(26-24-13-16)33(30,31)27-22(29)25-21-17-6-4-5-14(17)7-8-18(21)15-9-10-23-19(11-15)32-3;1-26-12-10-17(14-26)27(2)32(29,30)25-22(28)24-21-18-6-4-5-15(18)7-8-19(21)16-9-11-23-20(13-16)31-3;1-28(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/h9-12,14,18H,4-8,13,15H2,1-3H3,(H2,25,26,29);6-13H,1-5H3,(H2,26,28,30);7-13H,4-6H2,1-3H3,(H2,25,27,29);7-9,11,13,17H,4-6,10,12,14H2,1-3H3,(H2,24,25,28);6-12H,3-5H2,1-2H3,(H2,25,27,29)
• InChIKey: HTQUPDMXJJDGNI-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 577.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 31
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2346.76
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea?

The IUPAC name of 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea (CID 158584508) is 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea.

What is the SMILES notation for 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea?

The canonical SMILES for 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea is CN(C)c1cnnc(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)c1.COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cc(N(C)C)cnn2)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)N(C)C2CCN(C)C2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)N(C)CC2CCCN2C)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cc(N(C)C)cnn2)CCC3)ccn1.

What is the InChIKey of 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea?

The InChIKey is HTQUPDMXJJDGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4S.C22H25FN6O4S.C22H24N6O4S.C22H29N5O4S.C21H21FN6O3S/c1-27-13-5-7-18(27)15-28(2)33(30,31)26-23(29)25-22-19-8-4-6-16(19)9-10-20(22)17-11-12-24-21(14-17)32-3;1-13(2)17-9-15(23)10-18(14-6-7-24-19(8-14)33-5)21(17)26-22(30)28-34(31,32)20-11-16(29(3)4)12-25-27-20;1-28(2)16-12-20(26-24-13-16)33(30,31)27-22(29)25-21-17-6-4-5-14(17)7-8-18(21)15-9-10-23-19(11-15)32-3;1-26-12-10-17(14-26)27(2)32(29,30)25-22(28)24-21-18-6-4-5-15(18)7-8-19(21)16-9-11-23-20(13-16)31-3;1-28(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/h9-12,14,18H,4-8,13,15H2,1-3H3,(H2,25,26,29);6-13H,1-5H3,(H2,26,28,30);7-13H,4-6H2,1-3H3,(H2,25,27,29);7-9,11,13,17H,4-6,10,12,14H2,1-3H3,(H2,24,25,28);6-12H,3-5H2,1-2H3,(H2,25,27,29).

What are the key properties of 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea?

1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea has a molecular weight of 2346.76 g/mol, XLogP of 13.63, 31 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(dimethylamino)pyridazin-3-yl]sulfonyl-3-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]urea;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-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]sulfamoyl]urea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[methyl-(1-methylpyrrolidin-3-yl)sulfamoyl]urea is sourced from PubChem (CID 158584508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).