1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea

C105H122F2N20O20S5 — CID 158875662

About 1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea

1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea (PubChem CID 158875662) has the molecular formula C105H122F2N20O20S5 and a molecular weight of 2182.58 g/mol. Its IUPAC name is 1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea.

Molecular Properties

• Compound Name: 1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea
• PubChem CID: 158875662
• Molecular Formula: C105H122F2N20O20S5
• Molecular Weight: 2182.58 g/mol
• Exact Mass: 2180.77
• IUPAC Name: 1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea
• SMILES: CC1(C)COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1.CC1COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(C2)CC1(F)F.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CC1)C2.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CCC1)C2
• InChI: InChI=1S/C22H26N4O4S.C21H22F2N4O4S.C21H24N4O4S.C21H26N4O4S.C20H24N4O4S/c27-21(24-19-16-6-1-4-14(16)10-15-5-2-7-17(15)19)25-31(28,29)18-11-23-26-12-22(8-3-9-22)13-30-20(18)26;22-21(23)9-20(21)10-27-18(31-11-20)16(8-24-27)32(29,30)26-19(28)25-17-14-5-1-3-12(14)7-13-4-2-6-15(13)17;26-20(23-18-15-5-1-3-13(15)9-14-4-2-6-16(14)18)24-30(27,28)17-10-22-25-11-21(7-8-21)12-29-19(17)25;1-21(2)11-25-19(29-12-21)17(10-22-25)30(27,28)24-20(26)23-18-15-7-3-5-13(15)9-14-6-4-8-16(14)18;1-12-10-24-19(28-11-12)17(9-21-24)29(26,27)23-20(25)22-18-15-6-2-4-13(15)8-14-5-3-7-16(14)18/h10-11H,1-9,12-13H2,(H2,24,25,27);7-8H,1-6,9-11H2,(H2,25,26,28);9-10H,1-8,11-12H2,(H2,23,24,26);9-10H,3-8,11-12H2,1-2H3,(H2,23,24,26);8-9,12H,2-7,10-11H2,1H3,(H2,22,23,25)
• InChIKey: JCJZZERRFZHANE-UHFFFAOYSA-N
• XLogP: 13.45
• TPSA: 511.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2182.58
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea?

The IUPAC name of 1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea (CID 158875662) is 1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea.

What is the SMILES notation for 1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea?

The canonical SMILES for 1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea is CC1(C)COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1.CC1COc2c(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)cnn2C1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(C2)CC1(F)F.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CC1)C2.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCC1(CCC1)C2.

What is the InChIKey of 1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea?

The InChIKey is JCJZZERRFZHANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S.C21H22F2N4O4S.C21H24N4O4S.C21H26N4O4S.C20H24N4O4S/c27-21(24-19-16-6-1-4-14(16)10-15-5-2-7-17(15)19)25-31(28,29)18-11-23-26-12-22(8-3-9-22)13-30-20(18)26;22-21(23)9-20(21)10-27-18(31-11-20)16(8-24-27)32(29,30)26-19(28)25-17-14-5-1-3-12(14)7-13-4-2-6-15(13)17;26-20(23-18-15-5-1-3-13(15)9-14-4-2-6-16(14)18)24-30(27,28)17-10-22-25-11-21(7-8-21)12-29-19(17)25;1-21(2)11-25-19(29-12-21)17(10-22-25)30(27,28)24-20(26)23-18-15-7-3-5-13(15)9-14-6-4-8-16(14)18;1-12-10-24-19(28-11-12)17(9-21-24)29(26,27)23-20(25)22-18-15-6-2-4-13(15)8-14-5-3-7-16(14)18/h10-11H,1-9,12-13H2,(H2,24,25,27);7-8H,1-6,9-11H2,(H2,25,26,28);9-10H,1-8,11-12H2,(H2,23,24,26);9-10H,3-8,11-12H2,1-2H3,(H2,23,24,26);8-9,12H,2-7,10-11H2,1H3,(H2,22,23,25).

What are the key properties of 1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea?

1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea has a molecular weight of 2182.58 g/mol, XLogP of 13.45, 15 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1',1'-difluorospiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,2'-cyclopropane]-3-yl)sulfonyl-3-(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-(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-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-spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclobutane]-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'-cyclopropane]-3-ylsulfonylurea is sourced from PubChem (CID 158875662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).