1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea

C92H103F4N17O16S4 — CID 159193807

About 1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea

1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea (PubChem CID 159193807) has the molecular formula C92H103F4N17O16S4 and a molecular weight of 1907.20 g/mol. Its IUPAC name is 1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea.

Molecular Properties

• Compound Name: 1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea
• PubChem CID: 159193807
• Molecular Formula: C92H103F4N17O16S4
• Molecular Weight: 1907.20 g/mol
• Exact Mass: 1905.66
• IUPAC Name: 1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea
• SMILES: CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)C1CN(C(C)C)C1.CC(C)n1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)ccc1=O.COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)C2C=CC(=O)N(C(C)C)C2)ccn1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccc(=O)n(C(C)C)c2)ccn1
• InChI: InChI=1S/C24H24FN5O4S.C24H29FN4O5S.C23H23FN4O4S.C21H27FN4O3S/c1-14(2)19-11-17(25)12-20(16-8-9-27-21(10-16)26-5)23(19)28-24(32)29-35(33,34)18-6-7-22(31)30(13-18)15(3)4;1-14(2)19-11-17(25)12-20(16-8-9-26-21(10-16)34-5)23(19)27-24(31)28-35(32,33)18-6-7-22(30)29(13-18)15(3)4;1-14(2)28-13-16(6-7-21(28)29)33(31,32)27-23(30)26-22-18-5-3-4-17(18)20(24)12-19(22)15-8-10-25-11-9-15;1-13(2)18-8-16(22)9-19(15-6-5-7-23-10-15)20(18)24-21(27)25-30(28,29)17-11-26(12-17)14(3)4/h6-15H,1-4H3,(H2,28,29,32);6-12,14-15,18H,13H2,1-5H3,(H2,27,28,31);6-14H,3-5H2,1-2H3,(H2,26,27,30);5-10,13-14,17H,11-12H2,1-4H3,(H2,24,25,27)
• InChIKey: KOKKWRYPHQMWES-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 433.78 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1907.20
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea?

The IUPAC name of 1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea (CID 159193807) is 1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-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-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea?

The canonical SMILES for 1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea is CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)C1CN(C(C)C)C1.CC(C)n1cc(S(=O)(=O)NC(=O)Nc2c(-c3ccncc3)cc(F)c3c2CCC3)ccc1=O.COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)C2C=CC(=O)N(C(C)C)C2)ccn1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccc(=O)n(C(C)C)c2)ccn1.

What is the InChIKey of 1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea?

The InChIKey is KOKKWRYPHQMWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O4S.C24H29FN4O5S.C23H23FN4O4S.C21H27FN4O3S/c1-14(2)19-11-17(25)12-20(16-8-9-27-21(10-16)26-5)23(19)28-24(32)29-35(33,34)18-6-7-22(31)30(13-18)15(3)4;1-14(2)19-11-17(25)12-20(16-8-9-26-21(10-16)34-5)23(19)27-24(31)28-35(32,33)18-6-7-22(30)29(13-18)15(3)4;1-14(2)28-13-16(6-7-21(28)29)33(31,32)27-23(30)26-22-18-5-3-4-17(18)20(24)12-19(22)15-8-10-25-11-9-15;1-13(2)18-8-16(22)9-19(15-6-5-7-23-10-15)20(18)24-21(27)25-30(28,29)17-11-26(12-17)14(3)4/h6-15H,1-4H3,(H2,28,29,32);6-12,14-15,18H,13H2,1-5H3,(H2,27,28,31);6-14H,3-5H2,1-2H3,(H2,26,27,30);5-10,13-14,17H,11-12H2,1-4H3,(H2,24,25,27).

What are the key properties of 1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea?

1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea has a molecular weight of 1907.20 g/mol, XLogP of 15.65, 24 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea;1-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-3-[(6-oxo-1-propan-2-yl-2,3-dihydropyridin-3-yl)sulfonyl]urea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylazetidin-3-yl)sulfonylurea;1-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)-3-[(6-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea is sourced from PubChem (CID 159193807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).