1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea

C60H75F2N13O10S3 — CID 165005856

About 1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea

1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea (PubChem CID 165005856) has the molecular formula C60H75F2N13O10S3 and a molecular weight of 1272.54 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea.

Molecular Properties

• Compound Name: 1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea
• PubChem CID: 165005856
• Molecular Formula: C60H75F2N13O10S3
• Molecular Weight: 1272.54 g/mol
• Exact Mass: 1271.49
• IUPAC Name: 1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea
• SMILES: CC(C)c1cc(F)cc(-c2ccnc(N(C)C)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)cc(C)n1.CS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2
• InChI: InChI=1S/C23H29FN6O3S.C23H28FN5O4S.C14H18N2O3S/c1-14(2)18-12-17(24)13-19(16-7-9-25-20(11-16)29(5)6)22(18)26-23(31)28-34(32,33)21-8-10-30(27-21)15(3)4;1-13(2)18-11-17(24)12-19(16-9-15(5)25-20(10-16)33-6)22(18)26-23(30)28-34(31,32)21-7-8-29(27-21)14(3)4;1-20(18,19)16-14(17)15-13-11-6-2-4-9(11)8-10-5-3-7-12(10)13/h7-15H,1-6H3,(H2,26,28,31);7-14H,1-6H3,(H2,26,28,30);8H,2-7H2,1H3,(H2,15,16,17)
• InChIKey: IYISQKRQKCMFSV-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 299.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1272.54
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea?

The IUPAC name of 1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea (CID 165005856) is 1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea.

What is the SMILES notation for 1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea?

The canonical SMILES for 1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea is CC(C)c1cc(F)cc(-c2ccnc(N(C)C)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.COc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2ccn(C(C)C)n2)cc(C)n1.CS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.

What is the InChIKey of 1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea?

The InChIKey is IYISQKRQKCMFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O3S.C23H28FN5O4S.C14H18N2O3S/c1-14(2)18-12-17(24)13-19(16-7-9-25-20(11-16)29(5)6)22(18)26-23(31)28-34(32,33)21-8-10-30(27-21)15(3)4;1-13(2)18-11-17(24)12-19(16-9-15(5)25-20(10-16)33-6)22(18)26-23(30)28-34(31,32)21-7-8-29(27-21)14(3)4;1-20(18,19)16-14(17)15-13-11-6-2-4-9(11)8-10-5-3-7-12(10)13/h7-15H,1-6H3,(H2,26,28,31);7-14H,1-6H3,(H2,26,28,30);8H,2-7H2,1H3,(H2,15,16,17).

What are the key properties of 1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea?

1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea has a molecular weight of 1272.54 g/mol, XLogP of 10.73, 16 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methoxy-6-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-methylsulfonylurea is sourced from PubChem (CID 165005856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).