1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea

C106H138F2N20O25S5 — CID 162040617

About 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea

1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea (PubChem CID 162040617) has the molecular formula C106H138F2N20O25S5 and a molecular weight of 2290.72 g/mol. Its IUPAC name is 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea.

Molecular Properties

• Compound Name: 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea
• PubChem CID: 162040617
• Molecular Formula: C106H138F2N20O25S5
• Molecular Weight: 2290.72 g/mol
• Exact Mass: 2288.87
• IUPAC Name: 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea
• SMILES: CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C2(O)CCOCC2)n(C)n1.COC1(c2cc(S(=O)(=O)NC(=O)Nc3c(C(C)C)cc(F)cc3C(C)C)nn2C)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)nn2C)COC1.Cn1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1C1(O)CCOCC1.Cn1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1C1(O)COC1
• InChI: InChI=1S/C22H31FN4O5S.C22H28N4O5S.C21H29FN4O5S.C21H26N4O5S.C20H24N4O5S/c1-13(2)16-10-15(23)11-17(14(3)4)20(16)24-21(28)26-33(30,31)19-12-18(27(5)25-19)22(29)6-8-32-9-7-22;1-26-18(22(28)8-10-31-11-9-22)13-19(24-26)32(29,30)25-21(27)23-20-16-6-2-4-14(16)12-15-5-3-7-17(15)20;1-12(2)15-7-14(22)8-16(13(3)4)19(15)23-20(27)25-32(28,29)18-9-17(26(5)24-18)21(30-6)10-31-11-21;1-25-17(21(29-2)11-30-12-21)10-18(23-25)31(27,28)24-20(26)22-19-15-7-3-5-13(15)9-14-6-4-8-16(14)19;1-24-16(20(26)10-29-11-20)9-17(22-24)30(27,28)23-19(25)21-18-14-6-2-4-12(14)8-13-5-3-7-15(13)18/h10-14,29H,6-9H2,1-5H3,(H2,24,26,28);12-13,28H,2-11H2,1H3,(H2,23,25,27);7-9,12-13H,10-11H2,1-6H3,(H2,23,25,27);9-10H,3-8,11-12H2,1-2H3,(H2,22,24,26);8-9,26H,2-7,10-11H2,1H3,(H2,21,23,25)
• InChIKey: YXFPVGRRZOIXCR-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 590.75 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2290.72
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea?

The IUPAC name of 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea (CID 162040617) is 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea.

What is the SMILES notation for 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea?

The canonical SMILES for 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea is CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C2(O)CCOCC2)n(C)n1.COC1(c2cc(S(=O)(=O)NC(=O)Nc3c(C(C)C)cc(F)cc3C(C)C)nn2C)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)nn2C)COC1.Cn1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1C1(O)CCOCC1.Cn1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1C1(O)COC1.

What is the InChIKey of 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea?

The InChIKey is YXFPVGRRZOIXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O5S.C22H28N4O5S.C21H29FN4O5S.C21H26N4O5S.C20H24N4O5S/c1-13(2)16-10-15(23)11-17(14(3)4)20(16)24-21(28)26-33(30,31)19-12-18(27(5)25-19)22(29)6-8-32-9-7-22;1-26-18(22(28)8-10-31-11-9-22)13-19(24-26)32(29,30)25-21(27)23-20-16-6-2-4-14(16)12-15-5-3-7-17(15)20;1-12(2)15-7-14(22)8-16(13(3)4)19(15)23-20(27)25-32(28,29)18-9-17(26(5)24-18)21(30-6)10-31-11-21;1-25-17(21(29-2)11-30-12-21)10-18(23-25)31(27,28)24-20(26)22-19-15-7-3-5-13(15)9-14-6-4-8-16(14)19;1-24-16(20(26)10-29-11-20)9-17(22-24)30(27,28)23-19(25)21-18-14-6-2-4-12(14)8-13-5-3-7-15(13)18/h10-14,29H,6-9H2,1-5H3,(H2,24,26,28);12-13,28H,2-11H2,1H3,(H2,23,25,27);7-9,12-13H,10-11H2,1-6H3,(H2,23,25,27);9-10H,3-8,11-12H2,1-2H3,(H2,22,24,26);8-9,26H,2-7,10-11H2,1H3,(H2,21,23,25).

What are the key properties of 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea?

1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea has a molecular weight of 2290.72 g/mol, XLogP of 11.31, 26 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(4-hydroxyoxan-4-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-hydroxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(3-methoxyoxetan-3-yl)-1-methylpyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 162040617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).