1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea

C126H157N23O25S6 — CID 161083486

IUPAC1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea
SMILESCCCC1COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1.COC1CN(C2COc3c(S(=O)(=O)NC(=O)Nc4c5c(cc6c4CCC6)CCC5)cnn3C2)C1.Cc1c2c(c(NC(=O)NS(=O)(=O)c3cnn4c3OCCC4)c3c1CCC3)CCC2.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2cnn3c2OCCC3)c(C(C)C)c1.Cc1nn2c(c1S(=O)(=O)NC(=O)Nc1c3c(cc4c1CCC4)CCC3)OCCC2.O=C(Cc1c2c(cc3c1CCC3)CCC2)CS(=O)(=O)c1cc2n(n1)CCOC2
InChIInChI=1S/C23H29N5O5S.C22H28N4O4S.C21H24N2O4S.2C20H24N4O4S.C20H28N4O4S/c1-32-17-11-27(12-17)16-10-28-22(33-13-16)20(9-24-28)34(30,31)26-23(29)25-21-18-6-2-4-14(18)8-15-5-3-7-19(15)21;1-2-5-14-12-26-21(30-13-14)19(11-23-26)31(28,29)25-22(27)24-20-17-8-3-6-15(17)10-16-7-4-9-18(16)20;24-17(13-28(25,26)21-10-16-12-27-8-7-23(16)22-21)11-20-18-5-1-3-14(18)9-15-4-2-6-19(15)20;1-12-13-5-2-7-15(13)18(16-8-3-6-14(12)16)22-20(25)23-29(26,27)17-11-21-24-9-4-10-28-19(17)24;1-12-18(19-24(22-12)9-4-10-28-19)29(26,27)23-20(25)21-17-15-7-2-5-13(15)11-14-6-3-8-16(14)17;1-12(2)15-9-14(5)10-16(13(3)4)18(15)22-20(25)23-29(26,27)17-11-21-24-7-6-8-28-19(17)24/h8-9,16-17H,2-7,10-13H2,1H3,(H2,25,26,29);10-11,14H,2-9,12-13H2,1H3,(H2,24,25,27);9-10H,1-8,11-13H2;11H,2-10H2,1H3,(H2,22,23,25);11H,2-10H2,1H3,(H2,21,23,25);9-13H,6-8H2,1-5H3,(H2,22,23,25)
InChIKeyUGFBSYVYENJSJT-UHFFFAOYSA-N
MW2586.18 g/mol
LogP15.27
Rot. Bonds26

About 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea

1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea (PubChem CID 161083486) has the molecular formula C126H157N23O25S6 and a molecular weight of 2586.18 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea
PubChem CID161083486
Molecular FormulaC126H157N23O25S6
Molecular Weight2586.18 g/mol
Exact Mass2584.00
IUPAC Name1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea
SMILESCCCC1COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1.COC1CN(C2COc3c(S(=O)(=O)NC(=O)Nc4c5c(cc6c4CCC6)CCC5)cnn3C2)C1.Cc1c2c(c(NC(=O)NS(=O)(=O)c3cnn4c3OCCC4)c3c1CCC3)CCC2.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2cnn3c2OCCC3)c(C(C)C)c1.Cc1nn2c(c1S(=O)(=O)NC(=O)Nc1c3c(cc4c1CCC4)CCC3)OCCC2.O=C(Cc1c2c(cc3c1CCC3)CCC2)CS(=O)(=O)c1cc2n(n1)CCOC2
InChIInChI=1S/C23H29N5O5S.C22H28N4O4S.C21H24N2O4S.2C20H24N4O4S.C20H28N4O4S/c1-32-17-11-27(12-17)16-10-28-22(33-13-16)20(9-24-28)34(30,31)26-23(29)25-21-18-6-2-4-14(18)8-15-5-3-7-19(15)21;1-2-5-14-12-26-21(30-13-14)19(11-23-26)31(28,29)25-22(27)24-20-17-8-3-6-15(17)10-16-7-4-9-18(16)20;24-17(13-28(25,26)21-10-16-12-27-8-7-23(16)22-21)11-20-18-5-1-3-14(18)9-15-4-2-6-19(15)20;1-12-13-5-2-7-15(13)18(16-8-3-6-14(12)16)22-20(25)23-29(26,27)17-11-21-24-9-4-10-28-19(17)24;1-12-18(19-24(22-12)9-4-10-28-19)29(26,27)23-20(25)21-17-15-7-2-5-13(15)11-14-6-3-8-16(14)17;1-12(2)15-9-14(5)10-16(13(3)4)18(15)22-20(25)23-29(26,27)17-11-21-24-7-6-8-28-19(17)24/h8-9,16-17H,2-7,10-13H2,1H3,(H2,25,26,29);10-11,14H,2-9,12-13H2,1H3,(H2,24,25,27);9-10H,1-8,11-13H2;11H,2-10H2,1H3,(H2,22,23,25);11H,2-10H2,1H3,(H2,21,23,25);9-13H,6-8H2,1-5H3,(H2,22,23,25)
InChIKeyUGFBSYVYENJSJT-UHFFFAOYSA-N
XLogP15.27
TPSA602.33 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds26
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002586.18
LogP ≤ 515.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea
CID 167303965
1-[4-chloro-2,6-di(propan-2-yl)phenyl]-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)sulfonyl]urea
CID 167549536
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 135240787
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6R)-6-(methylaminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea
CID 170014232
1-(3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(6R)-6-ethoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[[(6R)-6-(ethylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-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-[[6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(3-pyrrolidin-1-yl-3,4-dihydro-2H-imidazo[5,1-b][1,3]oxazin-8-yl)sulfonyl]urea
CID 167560319
1-[S-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)-N-[(1-methylazetidin-3-yl)methyl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 160516232
1-(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-[(6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 161206615
1-[[(6R)-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
CID 158303620
ethyl N-[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl]carbamate
CID 135241172
1-(4-chloro-2-methyl-6-propan-2-ylphenyl)-3-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)urea
CID 156508595
1-[[6-(3-aminoazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 157130927
1-[[6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]-3-[2-[4-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)sulfonylcarbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacen-1-yl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea
CID 170011244

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea?
The IUPAC name of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea (CID 161083486) is 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea is CCCC1COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1.COC1CN(C2COc3c(S(=O)(=O)NC(=O)Nc4c5c(cc6c4CCC6)CCC5)cnn3C2)C1.Cc1c2c(c(NC(=O)NS(=O)(=O)c3cnn4c3OCCC4)c3c1CCC3)CCC2.Cc1cc(C(C)C)c(NC(=O)NS(=O)(=O)c2cnn3c2OCCC3)c(C(C)C)c1.Cc1nn2c(c1S(=O)(=O)NC(=O)Nc1c3c(cc4c1CCC4)CCC3)OCCC2.O=C(Cc1c2c(cc3c1CCC3)CCC2)CS(=O)(=O)c1cc2n(n1)CCOC2.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea?
The InChIKey is UGFBSYVYENJSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5S.C22H28N4O4S.C21H24N2O4S.2C20H24N4O4S.C20H28N4O4S/c1-32-17-11-27(12-17)16-10-28-22(33-13-16)20(9-24-28)34(30,31)26-23(29)25-21-18-6-2-4-14(18)8-15-5-3-7-19(15)21;1-2-5-14-12-26-21(30-13-14)19(11-23-26)31(28,29)25-22(27)24-20-17-8-3-6-15(17)10-16-7-4-9-18(16)20;24-17(13-28(25,26)21-10-16-12-27-8-7-23(16)22-21)11-20-18-5-1-3-14(18)9-15-4-2-6-19(15)20;1-12-13-5-2-7-15(13)18(16-8-3-6-14(12)16)22-20(25)23-29(26,27)17-11-21-24-9-4-10-28-19(17)24;1-12-18(19-24(22-12)9-4-10-28-19)29(26,27)23-20(25)21-17-15-7-2-5-13(15)11-14-6-3-8-16(14)17;1-12(2)15-9-14(5)10-16(13(3)4)18(15)22-20(25)23-29(26,27)17-11-21-24-7-6-8-28-19(17)24/h8-9,16-17H,2-7,10-13H2,1H3,(H2,25,26,29);10-11,14H,2-9,12-13H2,1H3,(H2,24,25,27);9-10H,1-8,11-13H2;11H,2-10H2,1H3,(H2,22,23,25);11H,2-10H2,1H3,(H2,21,23,25);9-13H,6-8H2,1-5H3,(H2,22,23,25).
What are the key properties of 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea?
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea has a molecular weight of 2586.18 g/mol, XLogP of 15.27, 26 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea;1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propan-2-one;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[6-(3-methoxyazetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(6-propyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]urea is sourced from PubChem (CID 161083486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).