1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea

C103H113F3N18O19S5 — CID 158108305

About 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea

1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea (PubChem CID 158108305) has the molecular formula C103H113F3N18O19S5 and a molecular weight of 2124.47 g/mol. Its IUPAC name is 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea.

Molecular Properties

• Compound Name: 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea
• PubChem CID: 158108305
• Molecular Formula: C103H113F3N18O19S5
• Molecular Weight: 2124.47 g/mol
• Exact Mass: 2122.70
• IUPAC Name: 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea
• SMILES: CC(=O)N(C)CCCS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.COCCCS(=O)(=O)NC(=O)Nc1c(-c2ccncc2)cc(F)c2c1CCC2.COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)Cc2cccnc2)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)Cc2cccnc2)CCC3)ccn1.O=C(Nc1c(-c2ccncc2)cc(F)c2c1CCC2)NS(=O)(=O)Cc1cccnc1
• InChI: InChI=1S/C22H23FN4O4S.C22H22N4O4S.C21H19FN4O3S.C19H22FN3O4S.C19H27N3O4S/c1-14(2)18-10-17(23)11-19(16-6-8-25-20(9-16)31-3)21(18)26-22(28)27-32(29,30)13-15-5-4-7-24-12-15;1-30-20-12-17(9-11-24-20)19-8-7-16-5-2-6-18(16)21(19)25-22(27)26-31(28,29)14-15-4-3-10-23-13-15;22-19-11-18(15-6-9-23-10-7-15)20(17-5-1-4-16(17)19)25-21(27)26-30(28,29)13-14-3-2-8-24-12-14;1-27-10-3-11-28(25,26)23-19(24)22-18-15-5-2-4-14(15)17(20)12-16(18)13-6-8-21-9-7-13;1-13(23)22(2)10-5-11-27(25,26)21-19(24)20-18-16-8-3-6-14(16)12-15-7-4-9-17(15)18/h4-12,14H,13H2,1-3H3,(H2,26,27,28);3-4,7-13H,2,5-6,14H2,1H3,(H2,25,26,27);2-3,6-12H,1,4-5,13H2,(H2,25,26,27);6-9,12H,2-5,10-11H2,1H3,(H2,22,23,24);12H,3-11H2,1-2H3,(H2,20,21,24)
• InChIKey: FQCKRIJQBSTBNC-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 514.58 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 31
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2124.47
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea?

The IUPAC name of 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea (CID 158108305) is 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea.

What is the SMILES notation for 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea?

The canonical SMILES for 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea is CC(=O)N(C)CCCS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.COCCCS(=O)(=O)NC(=O)Nc1c(-c2ccncc2)cc(F)c2c1CCC2.COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)Cc2cccnc2)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)Cc2cccnc2)CCC3)ccn1.O=C(Nc1c(-c2ccncc2)cc(F)c2c1CCC2)NS(=O)(=O)Cc1cccnc1.

What is the InChIKey of 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea?

The InChIKey is FQCKRIJQBSTBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4S.C22H22N4O4S.C21H19FN4O3S.C19H22FN3O4S.C19H27N3O4S/c1-14(2)18-10-17(23)11-19(16-6-8-25-20(9-16)31-3)21(18)26-22(28)27-32(29,30)13-15-5-4-7-24-12-15;1-30-20-12-17(9-11-24-20)19-8-7-16-5-2-6-18(16)21(19)25-22(27)26-31(28,29)14-15-4-3-10-23-13-15;22-19-11-18(15-6-9-23-10-7-15)20(17-5-1-4-16(17)19)25-21(27)26-30(28,29)13-14-3-2-8-24-12-14;1-27-10-3-11-28(25,26)23-19(24)22-18-15-5-2-4-14(15)17(20)12-16(18)13-6-8-21-9-7-13;1-13(23)22(2)10-5-11-27(25,26)21-19(24)20-18-16-8-3-6-14(16)12-15-7-4-9-17(15)18/h4-12,14H,13H2,1-3H3,(H2,26,27,28);3-4,7-13H,2,5-6,14H2,1H3,(H2,25,26,27);2-3,6-12H,1,4-5,13H2,(H2,25,26,27);6-9,12H,2-5,10-11H2,1H3,(H2,22,23,24);12H,3-11H2,1-2H3,(H2,20,21,24).

What are the key properties of 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea?

1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea has a molecular weight of 2124.47 g/mol, XLogP of 15.63, 31 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-(pyridin-3-ylmethylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(3-methoxypropylsulfonyl)urea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-(pyridin-3-ylmethylsulfonyl)urea;N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)propyl]-N-methylacetamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(pyridin-3-ylmethylsulfonyl)urea is sourced from PubChem (CID 158108305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).