1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea

C134H174N30O24S6 — CID 158194807

IUPAC1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea
SMILESCN(C)CCc1c2c(c(NC(=O)NS(=O)(=O)c3cnn4c3OCC(C)(C)C4)c3c1CCC3)CCC2.CN(C)CCc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)c1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN1CC2(COc3c(S(=O)(=O)NC(=O)Nc4c5c(cc6c4CCC6)CCC5)cnn3C2)C1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CNC1)C2
InChIInChI=1S/C25H35N5O4S.C23H31N5O4S.C22H27N5O4S.C22H29N5O4S.C21H25N5O4S.C21H27N5O4S/c1-25(2)14-30-23(34-15-25)21(13-26-30)35(32,33)28-24(31)27-22-19-9-5-7-16(19)18(11-12-29(3)4)17-8-6-10-20(17)22;1-27(2)12-10-19-24-21(22-28(19)11-5-13-32-22)33(30,31)26-23(29)25-20-17-8-3-6-15(17)14-16-7-4-9-18(16)20;1-26-10-22(11-26)12-27-20(31-13-22)18(9-23-27)32(29,30)25-21(28)24-19-16-6-2-4-14(16)8-15-5-3-7-17(15)19;1-26(2)13-18-23-20(21-27(18)10-5-11-31-21)32(29,30)25-22(28)24-19-16-8-3-6-14(16)12-15-7-4-9-17(15)19;27-20(24-18-15-5-1-3-13(15)7-14-4-2-6-16(14)18)25-31(28,29)17-8-23-26-11-21(9-22-10-21)12-30-19(17)26;1-25(2)21-23-18(19-26(21)10-5-11-30-19)31(28,29)24-20(27)22-17-15-8-3-6-13(15)12-14-7-4-9-16(14)17/h13H,5-12,14-15H2,1-4H3,(H2,27,28,31);14H,3-13H2,1-2H3,(H2,25,26,29);8-9H,2-7,10-13H2,1H3,(H2,24,25,28);12H,3-11,13H2,1-2H3,(H2,24,25,28);7-8,22H,1-6,9-12H2,(H2,24,25,27);12H,3-11H2,1-2H3,(H2,22,24,27)
InChIKeyGAFFEWMAVYQCFX-UHFFFAOYSA-N
MW2781.45 g/mol
LogP12.63
Rot. Bonds27

About 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea

1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea (PubChem CID 158194807) has the molecular formula C134H174N30O24S6 and a molecular weight of 2781.45 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea
PubChem CID158194807
Molecular FormulaC134H174N30O24S6
Molecular Weight2781.45 g/mol
Exact Mass2779.16
IUPAC Name1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea
SMILESCN(C)CCc1c2c(c(NC(=O)NS(=O)(=O)c3cnn4c3OCC(C)(C)C4)c3c1CCC3)CCC2.CN(C)CCc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)c1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN1CC2(COc3c(S(=O)(=O)NC(=O)Nc4c5c(cc6c4CCC6)CCC5)cnn3C2)C1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CNC1)C2
InChIInChI=1S/C25H35N5O4S.C23H31N5O4S.C22H27N5O4S.C22H29N5O4S.C21H25N5O4S.C21H27N5O4S/c1-25(2)14-30-23(34-15-25)21(13-26-30)35(32,33)28-24(31)27-22-19-9-5-7-16(19)18(11-12-29(3)4)17-8-6-10-20(17)22;1-27(2)12-10-19-24-21(22-28(19)11-5-13-32-22)33(30,31)26-23(29)25-20-17-8-3-6-15(17)14-16-7-4-9-18(16)20;1-26-10-22(11-26)12-27-20(31-13-22)18(9-23-27)32(29,30)25-21(28)24-19-16-6-2-4-14(16)8-15-5-3-7-17(15)19;1-26(2)13-18-23-20(21-27(18)10-5-11-31-21)32(29,30)25-22(28)24-19-16-8-3-6-14(16)12-15-7-4-9-17(15)19;27-20(24-18-15-5-1-3-13(15)7-14-4-2-6-16(14)18)25-31(28,29)17-8-23-26-11-21(9-22-10-21)12-30-19(17)26;1-25(2)21-23-18(19-26(21)10-5-11-30-19)31(28,29)24-20(27)22-17-15-8-3-6-13(15)12-14-7-4-9-16(14)17/h13H,5-12,14-15H2,1-4H3,(H2,27,28,31);14H,3-13H2,1-2H3,(H2,25,26,29);8-9H,2-7,10-13H2,1H3,(H2,24,25,28);12H,3-11,13H2,1-2H3,(H2,24,25,28);7-8,22H,1-6,9-12H2,(H2,24,25,27);12H,3-11H2,1-2H3,(H2,22,24,27)
InChIKeyGAFFEWMAVYQCFX-UHFFFAOYSA-N
XLogP12.63
TPSA642.15 Ų
H-Bond Donors13
H-Bond Acceptors42
Rotatable Bonds27
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002781.45
LogP ≤ 512.63
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1042

Analyze 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea?
The IUPAC name of 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea (CID 158194807) is 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea.
What is the SMILES notation for 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea?
The canonical SMILES for 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea is CN(C)CCc1c2c(c(NC(=O)NS(=O)(=O)c3cnn4c3OCC(C)(C)C4)c3c1CCC3)CCC2.CN(C)CCc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN(C)c1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c2n1CCCO2.CN1CC2(COc3c(S(=O)(=O)NC(=O)Nc4c5c(cc6c4CCC6)CCC5)cnn3C2)C1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CNC1)C2.
What is the InChIKey of 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea?
The InChIKey is GAFFEWMAVYQCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O4S.C23H31N5O4S.C22H27N5O4S.C22H29N5O4S.C21H25N5O4S.C21H27N5O4S/c1-25(2)14-30-23(34-15-25)21(13-26-30)35(32,33)28-24(31)27-22-19-9-5-7-16(19)18(11-12-29(3)4)17-8-6-10-20(17)22;1-27(2)12-10-19-24-21(22-28(19)11-5-13-32-22)33(30,31)26-23(29)25-20-17-8-3-6-15(17)14-16-7-4-9-18(16)20;1-26-10-22(11-26)12-27-20(31-13-22)18(9-23-27)32(29,30)25-21(28)24-19-16-6-2-4-14(16)8-15-5-3-7-17(15)19;1-26(2)13-18-23-20(21-27(18)10-5-11-31-21)32(29,30)25-22(28)24-19-16-8-3-6-14(16)12-15-7-4-9-17(15)19;27-20(24-18-15-5-1-3-13(15)7-14-4-2-6-16(14)18)25-31(28,29)17-8-23-26-11-21(9-22-10-21)12-30-19(17)26;1-25(2)21-23-18(19-26(21)10-5-11-30-19)31(28,29)24-20(27)22-17-15-8-3-6-13(15)12-14-7-4-9-16(14)17/h13H,5-12,14-15H2,1-4H3,(H2,27,28,31);14H,3-13H2,1-2H3,(H2,25,26,29);8-9H,2-7,10-13H2,1H3,(H2,24,25,28);12H,3-11,13H2,1-2H3,(H2,24,25,28);7-8,22H,1-6,9-12H2,(H2,24,25,27);12H,3-11H2,1-2H3,(H2,22,24,27).
What are the key properties of 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea?
1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea has a molecular weight of 2781.45 g/mol, XLogP of 12.63, 27 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[6-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[8-[2-(dimethylamino)ethyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-[(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[[6-[(dimethylamino)methyl]-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-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-(1'-methylspiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,3'-azetidine]-3-ylsulfonylurea is sourced from PubChem (CID 158194807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).