(5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol

C90H115Cl5N12O10S — CID 157112154

IUPAC(5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol
SMILESCC(=O)C12CCC(C(O)c3cc(Cl)cc4cn[nH]c34)(CC1)CC2.CC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(S(C)(=O)=O)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CCC(=O)C12CCC(C(O)c3cc(Cl)cc4cn[nH]c34)(CC1)CC2.CCC12CCC(C(O)c3cc(Cl)cc4cn[nH]c34)(CC1)CC2
InChIInChI=1S/C19H23ClN2O2.C18H24ClN3O2.C18H21ClN2O2.C18H23ClN2O.C17H24ClN3O3S/c1-2-15(23)18-3-6-19(7-4-18,8-5-18)17(24)14-10-13(20)9-12-11-21-22-16(12)14;1-11(23)22-6-4-13(5-7-22)18(2,3)17(24)15-9-14(19)8-12-10-20-21-16(12)15;1-11(22)17-2-5-18(6-3-17,7-4-17)16(23)14-9-13(19)8-12-10-20-21-15(12)14;1-2-17-3-6-18(7-4-17,8-5-17)16(22)14-10-13(19)9-12-11-20-21-15(12)14;1-17(2,12-4-6-21(7-5-12)25(3,23)24)16(22)14-9-13(18)8-11-10-19-20-15(11)14/h9-11,17,24H,2-8H2,1H3,(H,21,22);8-10,13,17,24H,4-7H2,1-3H3,(H,20,21);8-10,16,23H,2-7H2,1H3,(H,20,21);9-11,16,22H,2-8H2,1H3,(H,20,21);8-10,12,16,22H,4-7H2,1-3H3,(H,19,20)
InChIKeyAGZDRWVZFRAVAU-UHFFFAOYSA-N
MW1734.32 g/mol
LogP20.23
Rot. Bonds17

About (5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol

(5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol (PubChem CID 157112154) has the molecular formula C90H115Cl5N12O10S and a molecular weight of 1734.32 g/mol. Its IUPAC name is (5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name(5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol
PubChem CID157112154
Molecular FormulaC90H115Cl5N12O10S
Molecular Weight1734.32 g/mol
Exact Mass1730.70
IUPAC Name(5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol
SMILESCC(=O)C12CCC(C(O)c3cc(Cl)cc4cn[nH]c34)(CC1)CC2.CC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(S(C)(=O)=O)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CCC(=O)C12CCC(C(O)c3cc(Cl)cc4cn[nH]c34)(CC1)CC2.CCC12CCC(C(O)c3cc(Cl)cc4cn[nH]c34)(CC1)CC2
InChIInChI=1S/C19H23ClN2O2.C18H24ClN3O2.C18H21ClN2O2.C18H23ClN2O.C17H24ClN3O3S/c1-2-15(23)18-3-6-19(7-4-18,8-5-18)17(24)14-10-13(20)9-12-11-21-22-16(12)14;1-11(23)22-6-4-13(5-7-22)18(2,3)17(24)15-9-14(19)8-12-10-20-21-16(12)15;1-11(22)17-2-5-18(6-3-17,7-4-17)16(23)14-9-13(19)8-12-10-20-21-15(12)14;1-2-17-3-6-18(7-4-17,8-5-17)16(22)14-10-13(19)9-12-11-20-21-15(12)14;1-17(2,12-4-6-21(7-5-12)25(3,23)24)16(22)14-9-13(18)8-11-10-19-20-15(11)14/h9-11,17,24H,2-8H2,1H3,(H,21,22);8-10,13,17,24H,4-7H2,1-3H3,(H,20,21);8-10,16,23H,2-7H2,1H3,(H,20,21);9-11,16,22H,2-8H2,1H3,(H,20,21);8-10,12,16,22H,4-7H2,1-3H3,(H,19,20)
InChIKeyAGZDRWVZFRAVAU-UHFFFAOYSA-N
XLogP20.23
TPSA336.38 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001734.32
LogP ≤ 520.23
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze (5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol?
The IUPAC name of (5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol (CID 157112154) is (5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol.
What is the SMILES notation for (5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol?
The canonical SMILES for (5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol is CC(=O)C12CCC(C(O)c3cc(Cl)cc4cn[nH]c34)(CC1)CC2.CC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(S(C)(=O)=O)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CCC(=O)C12CCC(C(O)c3cc(Cl)cc4cn[nH]c34)(CC1)CC2.CCC12CCC(C(O)c3cc(Cl)cc4cn[nH]c34)(CC1)CC2.
What is the InChIKey of (5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol?
The InChIKey is AGZDRWVZFRAVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2.C18H24ClN3O2.C18H21ClN2O2.C18H23ClN2O.C17H24ClN3O3S/c1-2-15(23)18-3-6-19(7-4-18,8-5-18)17(24)14-10-13(20)9-12-11-21-22-16(12)14;1-11(23)22-6-4-13(5-7-22)18(2,3)17(24)15-9-14(19)8-12-10-20-21-16(12)15;1-11(22)17-2-5-18(6-3-17,7-4-17)16(23)14-9-13(19)8-12-10-20-21-15(12)14;1-2-17-3-6-18(7-4-17,8-5-17)16(22)14-10-13(19)9-12-11-20-21-15(12)14;1-17(2,12-4-6-21(7-5-12)25(3,23)24)16(22)14-9-13(18)8-11-10-19-20-15(11)14/h9-11,17,24H,2-8H2,1H3,(H,21,22);8-10,13,17,24H,4-7H2,1-3H3,(H,20,21);8-10,16,23H,2-7H2,1H3,(H,20,21);9-11,16,22H,2-8H2,1H3,(H,20,21);8-10,12,16,22H,4-7H2,1-3H3,(H,19,20).
What are the key properties of (5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol?
(5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol has a molecular weight of 1734.32 g/mol, XLogP of 20.23, 17 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indazol-7-yl)-(4-ethyl-1-bicyclo[2.2.2]octanyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]-1-bicyclo[2.2.2]octanyl]propan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol is sourced from PubChem (CID 157112154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).