N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide

C137H166F5N21O18S6 — CID 158836773

About N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide

N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide (PubChem CID 158836773) has the molecular formula C137H166F5N21O18S6 and a molecular weight of 2682.36 g/mol. Its IUPAC name is N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide.

Molecular Properties

• Compound Name: N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide
• PubChem CID: 158836773
• Molecular Formula: C137H166F5N21O18S6
• Molecular Weight: 2682.36 g/mol
• Exact Mass: 2680.10
• IUPAC Name: N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide
• SMILES: CC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)C1CN(C(C)C)C1.CCN(CC)CCCS(=O)(=O)NC(=O)Cc1c(-c2ccncc2)cc(F)c2c1CCC2.Cc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)C2CN(C(C)C)C2)ccn1.[C-]#[N+]c1cc(-c2cc(F)c3c(c2CC(=O)NS(=O)(=O)C2CN(C(C)C)C2)CCC3)ccn1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)C2CN(C(C)C)C2)ccn1.[C-]#[N+]c1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)C2CN(C(C)C)C2)CCC3)ccn1
• InChI: InChI=1S/C23H25FN4O3S.C23H27FN4O3S.2C23H30FN3O3S.C23H26N4O3S.C22H28FN3O3S/c1-14(2)28-12-16(13-28)32(30,31)27-23(29)11-20-17-5-4-6-18(17)21(24)10-19(20)15-7-8-26-22(9-15)25-3;1-14(2)19-9-17(24)10-20(16-6-7-26-22(8-16)25-5)21(19)11-23(29)27-32(30,31)18-12-28(13-18)15(3)4;1-14(2)20-9-18(24)10-21(17-6-7-25-16(5)8-17)22(20)11-23(28)26-31(29,30)19-12-27(13-19)15(3)4;1-3-27(4-2)13-6-14-31(29,30)26-23(28)16-21-18-7-5-8-19(18)22(24)15-20(21)17-9-11-25-12-10-17;1-15(2)27-13-18(14-27)31(29,30)26-23(28)12-21-19-6-4-5-16(19)7-8-20(21)17-9-10-25-22(11-17)24-3;1-14(2)19-8-17(23)9-20(16-6-5-7-24-11-16)21(19)10-22(27)25-30(28,29)18-12-26(13-18)15(3)4/h7-10,14,16H,4-6,11-13H2,1-2H3,(H,27,29);6-10,14-15,18H,11-13H2,1-4H3,(H,27,29);6-10,14-15,19H,11-13H2,1-5H3,(H,26,28);9-12,15H,3-8,13-14,16H2,1-2H3,(H,26,28);7-11,15,18H,4-6,12-14H2,1-2H3,(H,26,28);5-9,11,14-15,18H,10,12-13H2,1-4H3,(H,25,27)
• InChIKey: IXSWEUBZLQKZIH-UHFFFAOYSA-N
• XLogP: 19.11
• TPSA: 489.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 43
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2682.36
LogP ≤ 5	19.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide?

The IUPAC name of N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide (CID 158836773) is N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide.

What is the SMILES notation for N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide?

The canonical SMILES for N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide is CC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)C1CN(C(C)C)C1.CCN(CC)CCCS(=O)(=O)NC(=O)Cc1c(-c2ccncc2)cc(F)c2c1CCC2.Cc1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)C2CN(C(C)C)C2)ccn1.[C-]#[N+]c1cc(-c2cc(F)c3c(c2CC(=O)NS(=O)(=O)C2CN(C(C)C)C2)CCC3)ccn1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)C2CN(C(C)C)C2)ccn1.[C-]#[N+]c1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)C2CN(C(C)C)C2)CCC3)ccn1.

What is the InChIKey of N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide?

The InChIKey is IXSWEUBZLQKZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S.C23H27FN4O3S.2C23H30FN3O3S.C23H26N4O3S.C22H28FN3O3S/c1-14(2)28-12-16(13-28)32(30,31)27-23(29)11-20-17-5-4-6-18(17)21(24)10-19(20)15-7-8-26-22(9-15)25-3;1-14(2)19-9-17(24)10-20(16-6-7-26-22(8-16)25-5)21(19)11-23(29)27-32(30,31)18-12-28(13-18)15(3)4;1-14(2)20-9-18(24)10-21(17-6-7-25-16(5)8-17)22(20)11-23(28)26-31(29,30)19-12-27(13-19)15(3)4;1-3-27(4-2)13-6-14-31(29,30)26-23(28)16-21-18-7-5-8-19(18)22(24)15-20(21)17-9-11-25-12-10-17;1-15(2)27-13-18(14-27)31(29,30)26-23(28)12-21-19-6-4-5-16(19)7-8-20(21)17-9-10-25-22(11-17)24-3;1-14(2)19-8-17(23)9-20(16-6-5-7-24-11-16)21(19)10-22(27)25-30(28,29)18-12-26(13-18)15(3)4/h7-10,14,16H,4-6,11-13H2,1-2H3,(H,27,29);6-10,14-15,18H,11-13H2,1-4H3,(H,27,29);6-10,14-15,19H,11-13H2,1-5H3,(H,26,28);9-12,15H,3-8,13-14,16H2,1-2H3,(H,26,28);7-11,15,18H,4-6,12-14H2,1-2H3,(H,26,28);5-9,11,14-15,18H,10,12-13H2,1-4H3,(H,25,27).

What are the key properties of N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide?

N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide has a molecular weight of 2682.36 g/mol, XLogP of 19.11, 43 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(diethylamino)propylsulfonyl]-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide;2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-N-(1-propan-2-ylazetidin-3-yl)sulfonylacetamide is sourced from PubChem (CID 158836773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).