1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea

C109H121ClF8N20O21S5 — CID 163803628

About 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea

1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea (PubChem CID 163803628) has the molecular formula C109H121ClF8N20O21S5 and a molecular weight of 2395.06 g/mol. Its IUPAC name is 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea.

Molecular Properties

• Compound Name: 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea
• PubChem CID: 163803628
• Molecular Formula: C109H121ClF8N20O21S5
• Molecular Weight: 2395.06 g/mol
• Exact Mass: 2392.72
• IUPAC Name: 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea
• SMILES: CC1(C)COc2c(S(=O)(=O)NC(=O)Nc3c4c(c(C(F)(F)F)c5c3CCC5)CCC4)cnn2C1.O=C(Nc1c2c(c(C(F)(F)F)c3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CC1)C2.O=C(Nc1c2c(c(Cl)c3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CC1)C2.O=C(Nc1c2c(c(F)c3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC(OCC1CC1)C2.O=C(Nc1c2c(c(F)c3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CC1)C2
• InChI: InChI=1S/C23H27FN4O5S.C22H23F3N4O4S.C22H25F3N4O4S.C21H23ClN4O4S.C21H23FN4O4S/c24-20-15-3-1-5-17(15)21(18-6-2-4-16(18)20)26-23(29)27-34(30,31)19-9-25-28-10-14(12-33-22(19)28)32-11-13-7-8-13;23-22(24,25)17-12-3-1-5-14(12)18(15-6-2-4-13(15)17)27-20(30)28-34(31,32)16-9-26-29-10-21(7-8-21)11-33-19(16)29;1-21(2)10-29-19(33-11-21)16(9-26-29)34(31,32)28-20(30)27-18-14-7-3-5-12(14)17(22(23,24)25)13-6-4-8-15(13)18;2*22-17-12-3-1-5-14(12)18(15-6-2-4-13(15)17)24-20(27)25-31(28,29)16-9-23-26-10-21(7-8-21)11-30-19(16)26/h9,13-14H,1-8,10-12H2,(H2,26,27,29);9H,1-8,10-11H2,(H2,27,28,30);9H,3-8,10-11H2,1-2H3,(H2,27,28,30);2*9H,1-8,10-11H2,(H2,24,25,27)
• InChIKey: NHCLJGVJVXLXQC-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 520.83 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2395.06
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea?

The IUPAC name of 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea (CID 163803628) is 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea.

What is the SMILES notation for 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea?

The canonical SMILES for 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea is CC1(C)COc2c(S(=O)(=O)NC(=O)Nc3c4c(c(C(F)(F)F)c5c3CCC5)CCC4)cnn2C1.O=C(Nc1c2c(c(C(F)(F)F)c3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CC1)C2.O=C(Nc1c2c(c(Cl)c3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CC1)C2.O=C(Nc1c2c(c(F)c3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC(OCC1CC1)C2.O=C(Nc1c2c(c(F)c3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CC1)C2.

What is the InChIKey of 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea?

The InChIKey is NHCLJGVJVXLXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O5S.C22H23F3N4O4S.C22H25F3N4O4S.C21H23ClN4O4S.C21H23FN4O4S/c24-20-15-3-1-5-17(15)21(18-6-2-4-16(18)20)26-23(29)27-34(30,31)19-9-25-28-10-14(12-33-22(19)28)32-11-13-7-8-13;23-22(24,25)17-12-3-1-5-14(12)18(15-6-2-4-13(15)17)27-20(30)28-34(31,32)16-9-26-29-10-21(7-8-21)11-33-19(16)29;1-21(2)10-29-19(33-11-21)16(9-26-29)34(31,32)28-20(30)27-18-14-7-3-5-12(14)17(22(23,24)25)13-6-4-8-15(13)18;2*22-17-12-3-1-5-14(12)18(15-6-2-4-13(15)17)24-20(27)25-31(28,29)16-9-23-26-10-21(7-8-21)11-30-19(16)26/h9,13-14H,1-8,10-12H2,(H2,26,27,29);9H,1-8,10-11H2,(H2,27,28,30);9H,3-8,10-11H2,1-2H3,(H2,27,28,30);2*9H,1-8,10-11H2,(H2,24,25,27).

What are the key properties of 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea?

1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea has a molecular weight of 2395.06 g/mol, XLogP of 15.95, 18 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-[[6-(cyclopropylmethoxy)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea;1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonylurea;1-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-ylsulfonyl-3-[8-(trifluoromethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea is sourced from PubChem (CID 163803628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).