1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea

C98H108F4N18O18S5 — CID 165082817

About 1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea

1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea (PubChem CID 165082817) has the molecular formula C98H108F4N18O18S5 and a molecular weight of 2062.38 g/mol. Its IUPAC name is 1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea.

Molecular Properties

• Compound Name: 1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
• PubChem CID: 165082817
• Molecular Formula: C98H108F4N18O18S5
• Molecular Weight: 2062.38 g/mol
• Exact Mass: 2060.66
• IUPAC Name: 1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
• SMILES: CCc1c(F)cc(C(C)C)c(NC(=O)NS(C)(=O)=O)c1-c1ccnc(OC)c1.COc1cc(-c2c(C)cc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.COc1cc(-c2c(C3CC3)cc3c(c2NC(=O)NS(C)(=O)=O)CCC3)ccn1.Cc1cc2c(c(NC(=O)NS(C)(=O)=O)c1-c1ccnc(C#N)c1)CCC2.Cc1cc2c(c(NC(=O)NS(C)(=O)=O)c1-c1ccnc(C(F)(F)F)c1)CCC2
• InChI: InChI=1S/C23H25N5O4S.C20H23N3O4S.C19H24FN3O4S.C18H18F3N3O3S.C18H18N4O3S/c1-14-12-15-4-3-5-18(15)22(21(14)16-8-10-24-19(13-16)32-2)25-23(29)27-33(30,31)20-9-11-28(26-20)17-6-7-17;1-27-17-11-14(8-9-21-17)18-16(12-6-7-12)10-13-4-3-5-15(13)19(18)22-20(24)23-28(2,25)26;1-6-13-15(20)10-14(11(2)3)18(22-19(24)23-28(5,25)26)17(13)12-7-8-21-16(9-12)27-4;1-10-8-11-4-3-5-13(11)16(23-17(25)24-28(2,26)27)15(10)12-6-7-22-14(9-12)18(19,20)21;1-11-8-12-4-3-5-15(12)17(21-18(23)22-26(2,24)25)16(11)13-6-7-20-14(9-13)10-19/h8-13,17H,3-7H2,1-2H3,(H2,25,27,29);8-12H,3-7H2,1-2H3,(H2,22,23,24);7-11H,6H2,1-5H3,(H2,22,23,24);6-9H,3-5H2,1-2H3,(H2,23,24,25);6-9H,3-5H2,1-2H3,(H2,21,22,23)
• InChIKey: VKCAPADZCYRIQB-UHFFFAOYSA-N
• XLogP: 16.61
• TPSA: 510.10 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2062.38
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

The IUPAC name of 1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea (CID 165082817) is 1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea.

What is the SMILES notation for 1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

The canonical SMILES for 1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea is CCc1c(F)cc(C(C)C)c(NC(=O)NS(C)(=O)=O)c1-c1ccnc(OC)c1.COc1cc(-c2c(C)cc3c(c2NC(=O)NS(=O)(=O)c2ccn(C4CC4)n2)CCC3)ccn1.COc1cc(-c2c(C3CC3)cc3c(c2NC(=O)NS(C)(=O)=O)CCC3)ccn1.Cc1cc2c(c(NC(=O)NS(C)(=O)=O)c1-c1ccnc(C#N)c1)CCC2.Cc1cc2c(c(NC(=O)NS(C)(=O)=O)c1-c1ccnc(C(F)(F)F)c1)CCC2.

What is the InChIKey of 1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

The InChIKey is VKCAPADZCYRIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S.C20H23N3O4S.C19H24FN3O4S.C18H18F3N3O3S.C18H18N4O3S/c1-14-12-15-4-3-5-18(15)22(21(14)16-8-10-24-19(13-16)32-2)25-23(29)27-33(30,31)20-9-11-28(26-20)17-6-7-17;1-27-17-11-14(8-9-21-17)18-16(12-6-7-12)10-13-4-3-5-15(13)19(18)22-20(24)23-28(2,25)26;1-6-13-15(20)10-14(11(2)3)18(22-19(24)23-28(5,25)26)17(13)12-7-8-21-16(9-12)27-4;1-10-8-11-4-3-5-13(11)16(23-17(25)24-28(2,26)27)15(10)12-6-7-22-14(9-12)18(19,20)21;1-11-8-12-4-3-5-15(12)17(21-18(23)22-26(2,24)25)16(11)13-6-7-20-14(9-13)10-19/h8-13,17H,3-7H2,1-2H3,(H2,25,27,29);8-12H,3-7H2,1-2H3,(H2,22,23,24);7-11H,6H2,1-5H3,(H2,22,23,24);6-9H,3-5H2,1-2H3,(H2,23,24,25);6-9H,3-5H2,1-2H3,(H2,21,22,23).

What are the key properties of 1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?

1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea has a molecular weight of 2062.38 g/mol, XLogP of 16.61, 23 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2-cyano-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-[6-cyclopropyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-methylsulfonylurea;1-(1-cyclopropylpyrazol-3-yl)sulfonyl-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea;1-[3-ethyl-4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-methylsulfonylurea;1-methylsulfonyl-3-[6-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea is sourced from PubChem (CID 165082817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).