1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea

C140H159F2N29O23S6 — CID 157158677

About 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea

1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea (PubChem CID 157158677) has the molecular formula C140H159F2N29O23S6 and a molecular weight of 2846.39 g/mol. Its IUPAC name is 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea.

Molecular Properties

• Compound Name: 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea
• PubChem CID: 157158677
• Molecular Formula: C140H159F2N29O23S6
• Molecular Weight: 2846.39 g/mol
• Exact Mass: 2844.05
• IUPAC Name: 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea
• SMILES: CC(C)n1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)ccc1=O.CC(C)n1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)ncc1=O.COc1cc(-c2cc(F)cc(C(C)C)c2NC(C)NS(=O)(=O)C2CN(C(C)C)C2)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccc(=O)n(C(C)C)c2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cn(C(C)C)c(=O)cn2)CCC3)ccn1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2NC(C)NS(=O)(=O)C2CN(C(C)C)C2)ccn1
• InChI: InChI=1S/C24H23N5O4S.C24H26N4O5S.C23H30FN5O2S.C23H33FN4O3S.C23H22N6O4S.C23H25N5O5S/c1-15(2)29-14-19(7-9-22(29)30)34(32,33)28-24(31)27-23-20-5-3-4-16(20)6-8-21(23)17-10-11-26-18(12-17)13-25;1-15(2)28-14-18(8-10-22(28)29)34(31,32)27-24(30)26-23-19-6-4-5-16(19)7-9-20(23)17-11-12-25-21(13-17)33-3;1-14(2)20-10-18(24)11-21(17-7-8-26-22(9-17)25-6)23(20)27-16(5)28-32(30,31)19-12-29(13-19)15(3)4;1-14(2)20-10-18(24)11-21(17-7-8-25-22(9-17)31-6)23(20)26-16(5)27-32(29,30)19-12-28(13-19)15(3)4;1-14(2)29-13-20(26-12-21(29)30)34(32,33)28-23(31)27-22-18-5-3-4-15(18)6-7-19(22)16-8-9-25-17(10-16)11-24;1-14(2)28-13-20(25-12-21(28)29)34(31,32)27-23(30)26-22-17-6-4-5-15(17)7-8-18(22)16-9-10-24-19(11-16)33-3/h6-12,14-15H,3-5H2,1-2H3,(H2,27,28,31);7-15H,4-6H2,1-3H3,(H2,26,27,30);7-11,14-16,19,27-28H,12-13H2,1-5H3;7-11,14-16,19,26-27H,12-13H2,1-6H3;6-10,12-14H,3-5H2,1-2H3,(H2,27,28,31);7-14H,4-6H2,1-3H3,(H2,26,27,30)
• InChIKey: AMCQBLIUJFEREI-UHFFFAOYSA-N
• XLogP: 20.63
• TPSA: 694.71 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 39
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2846.39
LogP ≤ 5	20.63
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea?

The IUPAC name of 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea (CID 157158677) is 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea.

What is the SMILES notation for 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea?

The canonical SMILES for 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea is CC(C)n1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)ccc1=O.CC(C)n1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccnc(C#N)c3)ccc3c2CCC3)ncc1=O.COc1cc(-c2cc(F)cc(C(C)C)c2NC(C)NS(=O)(=O)C2CN(C(C)C)C2)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2ccc(=O)n(C(C)C)c2)CCC3)ccn1.COc1cc(-c2ccc3c(c2NC(=O)NS(=O)(=O)c2cn(C(C)C)c(=O)cn2)CCC3)ccn1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2NC(C)NS(=O)(=O)C2CN(C(C)C)C2)ccn1.

What is the InChIKey of 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea?

The InChIKey is AMCQBLIUJFEREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S.C24H26N4O5S.C23H30FN5O2S.C23H33FN4O3S.C23H22N6O4S.C23H25N5O5S/c1-15(2)29-14-19(7-9-22(29)30)34(32,33)28-24(31)27-23-20-5-3-4-16(20)6-8-21(23)17-10-11-26-18(12-17)13-25;1-15(2)28-14-18(8-10-22(28)29)34(31,32)27-24(30)26-23-19-6-4-5-16(19)7-9-20(23)17-11-12-25-21(13-17)33-3;1-14(2)20-10-18(24)11-21(17-7-8-26-22(9-17)25-6)23(20)27-16(5)28-32(30,31)19-12-29(13-19)15(3)4;1-14(2)20-10-18(24)11-21(17-7-8-25-22(9-17)31-6)23(20)26-16(5)27-32(29,30)19-12-28(13-19)15(3)4;1-14(2)29-13-20(26-12-21(29)30)34(32,33)28-23(31)27-22-18-5-3-4-15(18)6-7-19(22)16-8-9-25-17(10-16)11-24;1-14(2)28-13-20(25-12-21(28)29)34(31,32)27-23(30)26-22-17-6-4-5-15(17)7-8-18(22)16-9-10-24-19(11-16)33-3/h6-12,14-15H,3-5H2,1-2H3,(H2,27,28,31);7-15H,4-6H2,1-3H3,(H2,26,27,30);7-11,14-16,19,27-28H,12-13H2,1-5H3;7-11,14-16,19,26-27H,12-13H2,1-6H3;6-10,12-14H,3-5H2,1-2H3,(H2,27,28,31);7-14H,4-6H2,1-3H3,(H2,26,27,30).

What are the key properties of 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea?

1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea has a molecular weight of 2846.39 g/mol, XLogP of 20.63, 39 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;N-[1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;N-[1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylanilino]ethyl]-1-propan-2-ylazetidine-3-sulfonamide;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-(5-oxo-4-propan-2-ylpyrazin-2-yl)sulfonylurea;1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea is sourced from PubChem (CID 157158677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).