1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone

C68H78Cl4N16O6S — CID 159674525

IUPAC1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ncc23)CC1(C)C.CC(O)c1cc(Cl)cc2[nH]ncc12.CNC(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)c2ccccc21.OCCc1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C20H28N4O.C16H15ClN4O2S.C14H17ClN4O.2C9H9ClN2O/c1-14(25)24-9-8-23(13-20(24,2)3)19-11-16(15-6-4-5-7-15)10-18-17(19)12-21-22-18;1-24(22,23)21-7-6-20(14-4-2-3-5-15(14)21)16-9-11(17)8-13-12(16)10-18-19-13;1-16-14(20)19-4-2-9(3-5-19)11-6-10(15)7-13-12(11)8-17-18-13;1-5(13)7-2-6(10)3-9-8(7)4-11-12-9;10-7-3-6(1-2-13)8-5-11-12-9(8)4-7/h10-12,15H,4-9,13H2,1-3H3,(H,21,22);2-5,8-10H,6-7H2,1H3,(H,18,19);6-9H,2-5H2,1H3,(H,16,20)(H,17,18);2-5,13H,1H3,(H,11,12);3-5,13H,1-2H2,(H,11,12)
InChIKeyMUKRXKTXGHJUHP-UHFFFAOYSA-N
MW1389.36 g/mol
LogP13.56
Rot. Bonds8

About 1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone

1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone (PubChem CID 159674525) has the molecular formula C68H78Cl4N16O6S and a molecular weight of 1389.36 g/mol. Its IUPAC name is 1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
PubChem CID159674525
Molecular FormulaC68H78Cl4N16O6S
Molecular Weight1389.36 g/mol
Exact Mass1386.48
IUPAC Name1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ncc23)CC1(C)C.CC(O)c1cc(Cl)cc2[nH]ncc12.CNC(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)c2ccccc21.OCCc1cc(Cl)cc2[nH]ncc12
InChIInChI=1S/C20H28N4O.C16H15ClN4O2S.C14H17ClN4O.2C9H9ClN2O/c1-14(25)24-9-8-23(13-20(24,2)3)19-11-16(15-6-4-5-7-15)10-18-17(19)12-21-22-18;1-24(22,23)21-7-6-20(14-4-2-3-5-15(14)21)16-9-11(17)8-13-12(16)10-18-19-13;1-16-14(20)19-4-2-9(3-5-19)11-6-10(15)7-13-12(11)8-17-18-13;1-5(13)7-2-6(10)3-9-8(7)4-11-12-9;10-7-3-6(1-2-13)8-5-11-12-9(8)4-7/h10-12,15H,4-9,13H2,1-3H3,(H,21,22);2-5,8-10H,6-7H2,1H3,(H,18,19);6-9H,2-5H2,1H3,(H,16,20)(H,17,18);2-5,13H,1H3,(H,11,12);3-5,13H,1-2H2,(H,11,12)
InChIKeyMUKRXKTXGHJUHP-UHFFFAOYSA-N
XLogP13.56
TPSA280.37 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001389.36
LogP ≤ 513.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze 1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone with MolForge

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Related Compounds

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;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;trans-(1S,2R)-2-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
CID 158710465
1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 161578438
N-[4-(6-chloro-1H-indazol-4-yl)cyclohexyl]acetamide;1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;N'-(6-chloro-1H-indazol-4-yl)-N-methylethane-1,2-diamine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;4-(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 162177607
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
4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;6-cyclopentyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[2,2-dimethyl-4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 157474622
6-chloro-4-(1-cyclopentylsulfonylpiperidin-4-yl)-1H-indazole;2-[(6-chloro-1H-indazol-4-yl)amino]ethanol;8-(6-chloro-1H-indazol-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole
CID 157496943
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-chloro-4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)-1H-indazole;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 157815930
8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide
CID 157950359
6-chloro-4-(1-ethylsulfonylpiperidin-4-yl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)-4,4-dimethylcyclohexan-1-ol;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;6-chloro-4-(oxan-4-yl)-1H-indazole
CID 158442568
6-chloro-4-(4-fluoro-1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-(6-chloro-1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(6-chloro-1H-indazol-4-yl)-1-methylsulfonylpiperidin-4-ol;1-(6-chloro-1H-indazol-4-yl)piperidin-3-ol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 158468495
3-benzyl-8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-(6-chloro-1H-indazol-4-yl)-3-(2-hydroxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;4-(6-chloro-1H-indazol-4-yl)-1-methylpiperazin-2-one;(6-chloro-1H-indazol-4-yl)-(1-methylsulfonylpiperidin-4-yl)methanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole-6-carbonitrile
CID 159395055

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?
The IUPAC name of 1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone (CID 159674525) is 1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C3CCCC3)cc3[nH]ncc23)CC1(C)C.CC(O)c1cc(Cl)cc2[nH]ncc12.CNC(=O)N1CCC(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)c2ccccc21.OCCc1cc(Cl)cc2[nH]ncc12.
What is the InChIKey of 1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?
The InChIKey is MUKRXKTXGHJUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O.C16H15ClN4O2S.C14H17ClN4O.2C9H9ClN2O/c1-14(25)24-9-8-23(13-20(24,2)3)19-11-16(15-6-4-5-7-15)10-18-17(19)12-21-22-18;1-24(22,23)21-7-6-20(14-4-2-3-5-15(14)21)16-9-11(17)8-13-12(16)10-18-19-13;1-16-14(20)19-4-2-9(3-5-19)11-6-10(15)7-13-12(11)8-17-18-13;1-5(13)7-2-6(10)3-9-8(7)4-11-12-9;10-7-3-6(1-2-13)8-5-11-12-9(8)4-7/h10-12,15H,4-9,13H2,1-3H3,(H,21,22);2-5,8-10H,6-7H2,1H3,(H,18,19);6-9H,2-5H2,1H3,(H,16,20)(H,17,18);2-5,13H,1H3,(H,11,12);3-5,13H,1-2H2,(H,11,12).
What are the key properties of 1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone?
1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone has a molecular weight of 1389.36 g/mol, XLogP of 13.56, 8 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-indazol-4-yl)ethanol;2-(6-chloro-1H-indazol-4-yl)ethanol;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperidine-1-carboxamide;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3-dihydroquinoxaline;1-[4-(6-cyclopentyl-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 159674525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).