2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol

C58H73Cl4N13O5 — CID 157172993

IUPAC2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
SMILESCNC(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.COC(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.O[C@@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12.O[C@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C16H22ClN5O.C16H21ClN4O2.2C13H15ClN2O/c1-16(2)10-21(4-5-22(16)9-15(23)18-3)14-7-11(17)6-13-12(14)8-19-20-13;1-16(2)10-20(4-5-21(16)9-15(22)23-3)14-7-11(17)6-13-12(14)8-18-19-13;2*14-8-5-10(9-3-1-2-4-13(9)17)11-7-15-16-12(11)6-8/h6-8H,4-5,9-10H2,1-3H3,(H,18,23)(H,19,20);6-8H,4-5,9-10H2,1-3H3,(H,18,19);2*5-7,9,13,17H,1-4H2,(H,15,16)/t;;9-,13+;9-,13-/m..11/s1
InChIKeyANRMGBYPZYDVQU-BKLKFCOQSA-N
MW1174.12 g/mol
LogP10.62
Rot. Bonds8

About 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol

2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol (PubChem CID 157172993) has the molecular formula C58H73Cl4N13O5 and a molecular weight of 1174.12 g/mol. Its IUPAC name is 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
PubChem CID157172993
Molecular FormulaC58H73Cl4N13O5
Molecular Weight1174.12 g/mol
Exact Mass1171.46
IUPAC Name2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
SMILESCNC(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.COC(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.O[C@@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12.O[C@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C16H22ClN5O.C16H21ClN4O2.2C13H15ClN2O/c1-16(2)10-21(4-5-22(16)9-15(23)18-3)14-7-11(17)6-13-12(14)8-19-20-13;1-16(2)10-20(4-5-21(16)9-15(22)23-3)14-7-11(17)6-13-12(14)8-18-19-13;2*14-8-5-10(9-3-1-2-4-13(9)17)11-7-15-16-12(11)6-8/h6-8H,4-5,9-10H2,1-3H3,(H,18,23)(H,19,20);6-8H,4-5,9-10H2,1-3H3,(H,18,19);2*5-7,9,13,17H,1-4H2,(H,15,16)/t;;9-,13+;9-,13-/m..11/s1
InChIKeyANRMGBYPZYDVQU-BKLKFCOQSA-N
XLogP10.62
TPSA223.54 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001174.12
LogP ≤ 510.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol with MolForge

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Related Compounds

N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;8-(6-chloro-1H-indazol-4-yl)-3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
CID 157323482
6-(6-chloro-1H-indol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indol-4-yl)cyclohexan-1-ol;N-[2-[2,2-dimethyl-4-(6-methyl-1H-indazol-4-yl)piperazin-1-yl]ethyl]acetamide;N-[2-[2,2-dimethyl-4-(6-methyl-1H-indazol-4-yl)piperazin-1-yl]ethyl]methanesulfonamide;trans-(1S,2R)-2-(6-chloro-1H-indol-4-yl)cyclohexan-1-ol
CID 157421233
(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide
CID 161016286
N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
CID 161059624
N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]acetamide;N-[2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethyl]methanesulfonamide;N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]methanesulfonamide;6-(6-chloro-1H-indazol-4-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
CID 161522808

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
The IUPAC name of 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol (CID 157172993) is 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
The canonical SMILES for 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol is CNC(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.COC(=O)CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.O[C@@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12.O[C@H]1CCCC[C@@H]1c1cc(Cl)cc2[nH]ncc12.
What is the InChIKey of 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
The InChIKey is ANRMGBYPZYDVQU-BKLKFCOQSA-N. The full InChI is InChI=1S/C16H22ClN5O.C16H21ClN4O2.2C13H15ClN2O/c1-16(2)10-21(4-5-22(16)9-15(23)18-3)14-7-11(17)6-13-12(14)8-19-20-13;1-16(2)10-20(4-5-21(16)9-15(22)23-3)14-7-11(17)6-13-12(14)8-18-19-13;2*14-8-5-10(9-3-1-2-4-13(9)17)11-7-15-16-12(11)6-8/h6-8H,4-5,9-10H2,1-3H3,(H,18,23)(H,19,20);6-8H,4-5,9-10H2,1-3H3,(H,18,19);2*5-7,9,13,17H,1-4H2,(H,15,16)/t;;9-,13+;9-,13-/m..11/s1.
What are the key properties of 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol?
2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol has a molecular weight of 1174.12 g/mol, XLogP of 10.62, 8 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]-N-methylacetamide;cis-(1R,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;methyl 2-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]acetate;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 157172993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).