1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea
C97H122F4N20O20S5 — CID 159930092
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea
SMILESCC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C[C@@H](C)O)n1.C[C@@H](O)Cn1cnc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.C[C@H](O)Cn1cnc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CCOCC2)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(CC(O)C(F)(F)F)n1
InChIInChI=1S/C21H26N4O4S.C19H21F3N4O4S.C19H27FN4O4S.2C19H24N4O4S/c26-21(22-20-17-5-1-3-14(17)13-15-4-2-6-18(15)20)24-30(27,28)19-7-10-25(23-19)16-8-11-29-12-9-16;20-19(21,22)15(27)10-26-8-7-16(24-26)31(29,30)25-18(28)23-17-13-5-1-3-11(13)9-12-4-2-6-14(12)17;1-11(2)15-8-14(20)9-16(12(3)4)18(15)21-19(26)23-29(27,28)17-6-7-24(22-17)10-13(5)25;2*1-12(24)9-23-10-17(20-11-23)28(26,27)22-19(25)21-18-15-6-2-4-13(15)8-14-5-3-7-16(14)18/h7,10,13,16H,1-6,8-9,11-12H2,(H2,22,24,26);7-9,15,27H,1-6,10H2,(H2,23,25,28);6-9,11-13,25H,10H2,1-5H3,(H2,21,23,26);2*8,10-12,24H,2-7,9H2,1H3,(H2,21,22,25)/t;;13-;2*12-/m..110/s1
InChIKeyNZNJMEUYAVVXRF-ZVXQMOCFSA-N
MW2124.49 g/mol
LogP11.68
Rot. Bonds26
About 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea
1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea (PubChem CID 159930092) has the molecular formula C97H122F4N20O20S5 and a molecular weight of 2124.49 g/mol. Its IUPAC name is 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea.
Molecular Properties
| Compound Name | 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea |
|---|---|
| PubChem CID | 159930092 |
| Molecular Formula | C97H122F4N20O20S5 |
| Molecular Weight | 2124.49 g/mol |
| Exact Mass | 2122.77 |
| IUPAC Name | 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea |
| SMILES | CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C[C@@H](C)O)n1.C[C@@H](O)Cn1cnc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.C[C@H](O)Cn1cnc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CCOCC2)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(CC(O)C(F)(F)F)n1 |
| InChI | InChI=1S/C21H26N4O4S.C19H21F3N4O4S.C19H27FN4O4S.2C19H24N4O4S/c26-21(22-20-17-5-1-3-14(17)13-15-4-2-6-18(15)20)24-30(27,28)19-7-10-25(23-19)16-8-11-29-12-9-16;20-19(21,22)15(27)10-26-8-7-16(24-26)31(29,30)25-18(28)23-17-13-5-1-3-11(13)9-12-4-2-6-14(12)17;1-11(2)15-8-14(20)9-16(12(3)4)18(15)21-19(26)23-29(27,28)17-6-7-24(22-17)10-13(5)25;2*1-12(24)9-23-10-17(20-11-23)28(26,27)22-19(25)21-18-15-6-2-4-13(15)8-14-5-3-7-16(14)18/h7,10,13,16H,1-6,8-9,11-12H2,(H2,22,24,26);7-9,15,27H,1-6,10H2,(H2,23,25,28);6-9,11-13,25H,10H2,1-5H3,(H2,21,23,26);2*8,10-12,24H,2-7,9H2,1H3,(H2,21,22,25)/t;;13-;2*12-/m..110/s1 |
| InChIKey | NZNJMEUYAVVXRF-ZVXQMOCFSA-N |
| XLogP | 11.68 |
| TPSA | 555.60 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 146 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2124.49 |
| LogP ≤ 5 | 11.68 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 30 |
Frequently Asked Questions
What is the IUPAC name of 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea?
The IUPAC name of 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea (CID 159930092) is 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea.
What is the SMILES notation for 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea?
The canonical SMILES for 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea is CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1ccn(C[C@@H](C)O)n1.C[C@@H](O)Cn1cnc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.C[C@H](O)Cn1cnc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(C2CCOCC2)n1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1ccn(CC(O)C(F)(F)F)n1.
What is the InChIKey of 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea?
The InChIKey is NZNJMEUYAVVXRF-ZVXQMOCFSA-N. The full InChI is InChI=1S/C21H26N4O4S.C19H21F3N4O4S.C19H27FN4O4S.2C19H24N4O4S/c26-21(22-20-17-5-1-3-14(17)13-15-4-2-6-18(15)20)24-30(27,28)19-7-10-25(23-19)16-8-11-29-12-9-16;20-19(21,22)15(27)10-26-8-7-16(24-26)31(29,30)25-18(28)23-17-13-5-1-3-11(13)9-12-4-2-6-14(12)17;1-11(2)15-8-14(20)9-16(12(3)4)18(15)21-19(26)23-29(27,28)17-6-7-24(22-17)10-13(5)25;2*1-12(24)9-23-10-17(20-11-23)28(26,27)22-19(25)21-18-15-6-2-4-13(15)8-14-5-3-7-16(14)18/h7,10,13,16H,1-6,8-9,11-12H2,(H2,22,24,26);7-9,15,27H,1-6,10H2,(H2,23,25,28);6-9,11-13,25H,10H2,1-5H3,(H2,21,23,26);2*8,10-12,24H,2-7,9H2,1H3,(H2,21,22,25)/t;;13-;2*12-/m..110/s1.
What are the key properties of 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea?
1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea has a molecular weight of 2124.49 g/mol, XLogP of 11.68, 26 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[1-[(2R)-2-hydroxypropyl]pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2S)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-[(2R)-2-hydroxypropyl]imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxan-4-yl)pyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrazol-3-yl]sulfonylurea is sourced from PubChem (CID 159930092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 159930092 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.