1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea

C249H327F2N51O42S12 — CID 165060087

About 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea

1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea (PubChem CID 165060087) has the molecular formula C249H327F2N51O42S12 and a molecular weight of 5129.47 g/mol. Its IUPAC name is 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea.

Molecular Properties

• Compound Name: 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea
• PubChem CID: 165060087
• Molecular Formula: C249H327F2N51O42S12
• Molecular Weight: 5129.47 g/mol
• Exact Mass: 5125.16
• IUPAC Name: 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea
• SMILES: CC(C)(CN1CCC1)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C(C)(C)O)n(C(C)C)n1.CC(C)n1cc(F)c(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.CC(C)n1cnc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1C(C)(C)O.CC(C)n1ncc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.CC(C)n1nncc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CC(O)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C(C)C.COC(C)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.COC1(c2cc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)nn2C)CCC1.COC1(c2cc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)nn2C)CCCC1.Cc1cc(CN(C)C)cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1
• InChI: InChI=1S/C23H31N5O3S.C23H30N4O4S.C23H29N3O3S.C22H33FN4O4S.C22H28N4O4S.C22H30N4O4S.C21H28N4O4S.C20H26N4O4S.C19H23FN4O3S.3C18H23N5O3S/c1-23(2,15-27-11-5-12-27)28-13-10-20(25-28)32(30,31)26-22(29)24-21-18-8-3-6-16(18)14-17-7-4-9-19(17)21;1-27-19(23(31-2)11-3-4-12-23)14-20(25-27)32(29,30)26-22(28)24-21-17-9-5-7-15(17)13-16-8-6-10-18(16)21;1-15-10-16(14-26(2)3)12-19(11-15)30(28,29)25-23(27)24-22-20-8-4-6-17(20)13-18-7-5-9-21(18)22;1-12(2)16-9-15(23)10-17(13(3)4)20(16)24-21(28)26-32(30,31)19-11-18(22(7,8)29)27(25-19)14(5)6;1-26-18(22(30-2)10-5-11-22)13-19(24-26)31(28,29)25-21(27)23-20-16-8-3-6-14(16)12-15-7-4-9-17(15)20;1-13(2)26-18(22(3,4)28)12-19(24-26)31(29,30)25-21(27)23-20-16-9-5-7-14(16)11-15-8-6-10-17(15)20;1-12(2)25-18(13(3)26)11-19(23-25)30(28,29)24-21(27)22-20-16-8-4-6-14(16)10-15-7-5-9-17(15)20;1-12(28-3)17-11-18(22-24(17)2)29(26,27)23-20(25)21-19-15-8-4-6-13(15)10-14-7-5-9-16(14)19;1-11(2)24-10-16(20)18(22-24)28(26,27)23-19(25)21-17-14-7-3-5-12(14)9-13-6-4-8-15(13)17;1-11(2)23-10-19-18(21-23)27(25,26)22-17(24)20-16-14-7-3-5-12(14)9-13-6-4-8-15(13)16;1-11(2)23-16(10-19-22-23)27(25,26)21-18(24)20-17-14-7-3-5-12(14)9-13-6-4-8-15(13)17;1-11(2)23-19-10-16(21-23)27(25,26)22-18(24)20-17-14-7-3-5-12(14)9-13-6-4-8-15(13)17/h10,13-14H,3-9,11-12,15H2,1-2H3,(H2,24,26,29);13-14H,3-12H2,1-2H3,(H2,24,26,28);10-13H,4-9,14H2,1-3H3,(H2,24,25,27);9-14,29H,1-8H3,(H2,24,26,28);12-13H,3-11H2,1-2H3,(H2,23,25,27);11-13,28H,5-10H2,1-4H3,(H2,23,25,27);10-13,26H,4-9H2,1-3H3,(H2,22,24,27);10-12H,4-9H2,1-3H3,(H2,21,23,25);9-11H,3-8H2,1-2H3,(H2,21,23,25);9-11H,3-8H2,1-2H3,(H2,20,22,24);9-11H,3-8H2,1-2H3,(H2,20,21,24);9-11H,3-8H2,1-2H3,(H2,20,22,24)
• InChIKey: RBEFDJQRRUKHQU-UHFFFAOYSA-N
• XLogP: 36.13
• TPSA: 1232.79 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 69
• Rotatable Bonds: 59
• Heavy Atoms: 356
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5129.47
LogP ≤ 5	36.13
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	69

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea?

The IUPAC name of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea (CID 165060087) is 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea.

What is the SMILES notation for 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea?

The canonical SMILES for 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea is CC(C)(CN1CCC1)n1ccc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.CC(C)c1cc(F)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cc(C(C)(C)O)n(C(C)C)n1.CC(C)n1cc(F)c(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.CC(C)n1cnc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.CC(C)n1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1C(C)(C)O.CC(C)n1ncc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1.CC(C)n1nncc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.CC(O)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C(C)C.COC(C)c1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nn1C.COC1(c2cc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)nn2C)CCC1.COC1(c2cc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)nn2C)CCCC1.Cc1cc(CN(C)C)cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.

What is the InChIKey of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea?

The InChIKey is RBEFDJQRRUKHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3S.C23H30N4O4S.C23H29N3O3S.C22H33FN4O4S.C22H28N4O4S.C22H30N4O4S.C21H28N4O4S.C20H26N4O4S.C19H23FN4O3S.3C18H23N5O3S/c1-23(2,15-27-11-5-12-27)28-13-10-20(25-28)32(30,31)26-22(29)24-21-18-8-3-6-16(18)14-17-7-4-9-19(17)21;1-27-19(23(31-2)11-3-4-12-23)14-20(25-27)32(29,30)26-22(28)24-21-17-9-5-7-15(17)13-16-8-6-10-18(16)21;1-15-10-16(14-26(2)3)12-19(11-15)30(28,29)25-23(27)24-22-20-8-4-6-17(20)13-18-7-5-9-21(18)22;1-12(2)16-9-15(23)10-17(13(3)4)20(16)24-21(28)26-32(30,31)19-11-18(22(7,8)29)27(25-19)14(5)6;1-26-18(22(30-2)10-5-11-22)13-19(24-26)31(28,29)25-21(27)23-20-16-8-3-6-14(16)12-15-7-4-9-17(15)20;1-13(2)26-18(22(3,4)28)12-19(24-26)31(29,30)25-21(27)23-20-16-9-5-7-14(16)11-15-8-6-10-17(15)20;1-12(2)25-18(13(3)26)11-19(23-25)30(28,29)24-21(27)22-20-16-8-4-6-14(16)10-15-7-5-9-17(15)20;1-12(28-3)17-11-18(22-24(17)2)29(26,27)23-20(25)21-19-15-8-4-6-13(15)10-14-7-5-9-16(14)19;1-11(2)24-10-16(20)18(22-24)28(26,27)23-19(25)21-17-14-7-3-5-12(14)9-13-6-4-8-15(13)17;1-11(2)23-10-19-18(21-23)27(25,26)22-17(24)20-16-14-7-3-5-12(14)9-13-6-4-8-15(13)16;1-11(2)23-16(10-19-22-23)27(25,26)21-18(24)20-17-14-7-3-5-12(14)9-13-6-4-8-15(13)17;1-11(2)23-19-10-16(21-23)27(25,26)22-18(24)20-17-14-7-3-5-12(14)9-13-6-4-8-15(13)17/h10,13-14H,3-9,11-12,15H2,1-2H3,(H2,24,26,29);13-14H,3-12H2,1-2H3,(H2,24,26,28);10-13H,4-9,14H2,1-3H3,(H2,24,25,27);9-14,29H,1-8H3,(H2,24,26,28);12-13H,3-11H2,1-2H3,(H2,23,25,27);11-13,28H,5-10H2,1-4H3,(H2,23,25,27);10-13,26H,4-9H2,1-3H3,(H2,22,24,27);10-12H,4-9H2,1-3H3,(H2,21,23,25);9-11H,3-8H2,1-2H3,(H2,21,23,25);9-11H,3-8H2,1-2H3,(H2,20,22,24);9-11H,3-8H2,1-2H3,(H2,20,21,24);9-11H,3-8H2,1-2H3,(H2,20,22,24).

What are the key properties of 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea?

1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea has a molecular weight of 5129.47 g/mol, XLogP of 36.13, 59 rotatable bonds, 27 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(azetidin-1-yl)-2-methylpropan-2-yl]pyrazol-3-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[3-[(dimethylamino)methyl]-5-methylphenyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2,6-di(propan-2-yl)phenyl]-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(4-fluoro-1-propan-2-ylpyrazol-3-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-hydroxyethyl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(2-hydroxypropan-2-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclobutyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxycyclopentyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[5-(1-methoxyethyl)-1-methylpyrazol-3-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-yl-1,2,4-triazol-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-propan-2-yltriazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-propan-2-yltriazol-4-yl)sulfonylurea is sourced from PubChem (CID 165060087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).