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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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

C132H149ClF8N24O25S6 — CID 167568446

IUPAC1-(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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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
SMILESCC1(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.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CCCC1)C2
InChIInChI=1S/C23H27FN4O5S.C23H28N4O4S.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;28-22(25-20-17-7-3-5-15(17)11-16-6-4-8-18(16)20)26-32(29,30)19-12-24-27-13-23(9-1-2-10-23)14-31-21(19)27;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);11-12H,1-10,13-14H2,(H2,25,26,28);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)
InChIKeyFOWHNNUTKJOBJF-UHFFFAOYSA-N
MW2851.63 g/mol
LogP19.27
Rot. Bonds21

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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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 167568446) has the molecular formula C132H149ClF8N24O25S6 and a molecular weight of 2851.63 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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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 Name1-(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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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 CID167568446
Molecular FormulaC132H149ClF8N24O25S6
Molecular Weight2851.63 g/mol
Exact Mass2848.90
IUPAC Name1-(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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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
SMILESCC1(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.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CCCC1)C2
InChIInChI=1S/C23H27FN4O5S.C23H28N4O4S.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;28-22(25-20-17-7-3-5-15(17)11-16-6-4-8-18(16)20)26-32(29,30)19-12-24-27-13-23(9-1-2-10-23)14-31-21(19)27;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);11-12H,1-10,13-14H2,(H2,25,26,28);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)
InChIKeyFOWHNNUTKJOBJF-UHFFFAOYSA-N
XLogP19.27
TPSA623.15 Ų
H-Bond Donors12
H-Bond Acceptors37
Rotatable Bonds21
Heavy Atoms196
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002851.63
LogP ≤ 519.27
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1037

Analyze 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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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 with MolForge

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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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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 167568446) 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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CCCC1)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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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 FOWHNNUTKJOBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O5S.C23H28N4O4S.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;28-22(25-20-17-7-3-5-15(17)11-16-6-4-8-18(16)20)26-32(29,30)19-12-24-27-13-23(9-1-2-10-23)14-31-21(19)27;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);11-12H,1-10,13-14H2,(H2,25,26,28);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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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 2851.63 g/mol, XLogP of 19.27, 21 rotatable bonds, 12 hydrogen bond donors, and 37 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-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopentane]-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 167568446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).