1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol

C102H118Cl6F2N10O8S — CID 159903261

About 1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol

1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol (PubChem CID 159903261) has the molecular formula C102H118Cl6F2N10O8S and a molecular weight of 1894.91 g/mol. Its IUPAC name is 1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol.

Molecular Properties

• Compound Name: 1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol
• PubChem CID: 159903261
• Molecular Formula: C102H118Cl6F2N10O8S
• Molecular Weight: 1894.91 g/mol
• Exact Mass: 1890.70
• IUPAC Name: 1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol
• SMILES: CC(C)(C1CCCCC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC1(C)C2CCC(C2)C12CC(O)(c1cc(Cl)cc3cn[nH]c13)C2.CC1(C)[C@H]2CCC3(CC(O)(c4cc(Cl)cc5cn[nH]c45)C3)[C@@H]1C2.Cc1cccc(CC2(C(O)c3cc(Cl)cc4cn[nH]c34)CCC2)c1.O=S1(=O)CC(O)(c2cc(Cl)cc3c2CC=C3)C1.OC(c1cc(Cl)cc2cn[nH]c12)C(F)(F)C1CCCCC1
• InChI: InChI=1S/C20H21ClN2O.2C19H23ClN2O.C17H23ClN2O.C15H17ClF2N2O.C12H11ClO3S/c1-13-4-2-5-14(8-13)11-20(6-3-7-20)19(24)17-10-16(21)9-15-12-22-23-18(15)17;1-17(2)12-3-4-18(15(17)6-12)9-19(23,10-18)14-7-13(20)5-11-8-21-22-16(11)14;1-17(2)12-3-4-13(6-12)18(17)9-19(23,10-18)15-7-14(20)5-11-8-21-22-16(11)15;1-17(2,12-6-4-3-5-7-12)16(21)14-9-13(18)8-11-10-19-20-15(11)14;16-11-6-9-8-19-20-13(9)12(7-11)14(21)15(17,18)10-4-2-1-3-5-10;13-9-4-8-2-1-3-10(8)11(5-9)12(14)6-17(15,16)7-12/h2,4-5,8-10,12,19,24H,3,6-7,11H2,1H3,(H,22,23);5,7-8,12,15,23H,3-4,6,9-10H2,1-2H3,(H,21,22);5,7-8,12-13,23H,3-4,6,9-10H2,1-2H3,(H,21,22);8-10,12,16,21H,3-7H2,1-2H3,(H,19,20);6-8,10,14,21H,1-5H2,(H,19,20);1-2,4-5,14H,3,6-7H2/t;12-,15+,18?,19?;;;;/m.0..../s1
• InChIKey: NWFSJTLMKHQDIU-HBGMGUBVSA-N
• XLogP: 25.10
• TPSA: 298.92 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1894.91
LogP ≤ 5	25.10
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol?

The IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol (CID 159903261) is 1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol.

What is the SMILES notation for 1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol?

The canonical SMILES for 1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol is CC(C)(C1CCCCC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC1(C)C2CCC(C2)C12CC(O)(c1cc(Cl)cc3cn[nH]c13)C2.CC1(C)[C@H]2CCC3(CC(O)(c4cc(Cl)cc5cn[nH]c45)C3)[C@@H]1C2.Cc1cccc(CC2(C(O)c3cc(Cl)cc4cn[nH]c34)CCC2)c1.O=S1(=O)CC(O)(c2cc(Cl)cc3c2CC=C3)C1.OC(c1cc(Cl)cc2cn[nH]c12)C(F)(F)C1CCCCC1.

What is the InChIKey of 1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol?

The InChIKey is NWFSJTLMKHQDIU-HBGMGUBVSA-N. The full InChI is InChI=1S/C20H21ClN2O.2C19H23ClN2O.C17H23ClN2O.C15H17ClF2N2O.C12H11ClO3S/c1-13-4-2-5-14(8-13)11-20(6-3-7-20)19(24)17-10-16(21)9-15-12-22-23-18(15)17;1-17(2)12-3-4-18(15(17)6-12)9-19(23,10-18)14-7-13(20)5-11-8-21-22-16(11)14;1-17(2)12-3-4-13(6-12)18(17)9-19(23,10-18)15-7-14(20)5-11-8-21-22-16(11)15;1-17(2,12-6-4-3-5-7-12)16(21)14-9-13(18)8-11-10-19-20-15(11)14;16-11-6-9-8-19-20-13(9)12(7-11)14(21)15(17,18)10-4-2-1-3-5-10;13-9-4-8-2-1-3-10(8)11(5-9)12(14)6-17(15,16)7-12/h2,4-5,8-10,12,19,24H,3,6-7,11H2,1H3,(H,22,23);5,7-8,12,15,23H,3-4,6,9-10H2,1-2H3,(H,21,22);5,7-8,12-13,23H,3-4,6,9-10H2,1-2H3,(H,21,22);8-10,12,16,21H,3-7H2,1-2H3,(H,19,20);6-8,10,14,21H,1-5H2,(H,19,20);1-2,4-5,14H,3,6-7H2/t;12-,15+,18?,19?;;;;/m.0..../s1.

What are the key properties of 1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol?

1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol has a molecular weight of 1894.91 g/mol, XLogP of 25.10, 13 rotatable bonds, 11 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol is sourced from PubChem (CID 159903261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).