2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol

C105H134Cl5N15O8S — CID 159364422

IUPAC2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol
SMILESC=C(C)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(C1CC1)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(CC)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)c2ccccc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(S(=O)(=O)c2ccccc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C23H26ClN3O2.C22H26ClN3O3S.C21H28ClN3O.C20H28ClN3O.C19H26ClN3O/c1-23(2,21(28)19-13-18(24)12-16-14-25-26-20(16)19)17-8-10-27(11-9-17)22(29)15-6-4-3-5-7-15;1-22(2,21(27)19-13-17(23)12-15-14-24-25-20(15)19)16-8-10-26(11-9-16)30(28,29)18-6-4-3-5-7-18;1-13(14-4-5-14)25-8-6-16(7-9-25)21(2,3)20(26)18-11-17(22)10-15-12-23-24-19(15)18;1-5-13(2)24-8-6-15(7-9-24)20(3,4)19(25)17-11-16(21)10-14-12-22-23-18(14)17;1-12(2)23-7-5-14(6-8-23)19(3,4)18(24)16-10-15(20)9-13-11-21-22-17(13)16/h3-7,12-14,17,21,28H,8-11H2,1-2H3,(H,25,26);3-7,12-14,16,21,27H,8-11H2,1-2H3,(H,24,25);10-12,14,16,20,26H,1,4-9H2,2-3H3,(H,23,24);10-12,15,19,25H,2,5-9H2,1,3-4H3,(H,22,23);9-11,14,18,24H,1,5-8H2,2-4H3,(H,21,22)
InChIKeyLIYGTIDBDSKVPC-UHFFFAOYSA-N
MW1943.66 g/mol
LogP23.55
Rot. Bonds23

About 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol

2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol (PubChem CID 159364422) has the molecular formula C105H134Cl5N15O8S and a molecular weight of 1943.66 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol
PubChem CID159364422
Molecular FormulaC105H134Cl5N15O8S
Molecular Weight1943.66 g/mol
Exact Mass1939.87
IUPAC Name2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol
SMILESC=C(C)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(C1CC1)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(CC)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)c2ccccc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(S(=O)(=O)c2ccccc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C23H26ClN3O2.C22H26ClN3O3S.C21H28ClN3O.C20H28ClN3O.C19H26ClN3O/c1-23(2,21(28)19-13-18(24)12-16-14-25-26-20(16)19)17-8-10-27(11-9-17)22(29)15-6-4-3-5-7-15;1-22(2,21(27)19-13-17(23)12-15-14-24-25-20(15)19)16-8-10-26(11-9-16)30(28,29)18-6-4-3-5-7-18;1-13(14-4-5-14)25-8-6-16(7-9-25)21(2,3)20(26)18-11-17(22)10-15-12-23-24-19(15)18;1-5-13(2)24-8-6-15(7-9-24)20(3,4)19(25)17-11-16(21)10-14-12-22-23-18(14)17;1-12(2)23-7-5-14(6-8-23)19(3,4)18(24)16-10-15(20)9-13-11-21-22-17(13)16/h3-7,12-14,17,21,28H,8-11H2,1-2H3,(H,25,26);3-7,12-14,16,21,27H,8-11H2,1-2H3,(H,24,25);10-12,14,16,20,26H,1,4-9H2,2-3H3,(H,23,24);10-12,15,19,25H,2,5-9H2,1,3-4H3,(H,22,23);9-11,14,18,24H,1,5-8H2,2-4H3,(H,21,22)
InChIKeyLIYGTIDBDSKVPC-UHFFFAOYSA-N
XLogP23.55
TPSA311.96 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001943.66
LogP ≤ 523.55
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
CID 157945800
tert-butyl 4-[(2R)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;tert-butyl 4-[(2S)-2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]propan-1-ol;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(3-fluoro-4-methylphenyl)ethanone;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(4-fluoro-3-methylphenyl)ethanone
CID 159290143
(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;3-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-enenitrile;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-2-methylpropan-1-ol;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[3-(oxan-4-yl)prop-1-en-2-yl]piperidin-4-yl]propan-1-ol
CID 160937077
[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclobutylmethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-methoxyethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-methylpropan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(methylidene-oxo-phenyl-lambda6-sulfanyl)piperidine-1-carboxamide
CID 161578486
(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
[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclohexylmethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 158304663
4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone
CID 158357743
tert-butyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[1-(5-chloro-1H-indazol-7-yl)-2-methyl-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 158532335
N-benzoyl-4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxamide;N-benzyl-4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxamide;tert-butyl 4-[(1S)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;tert-butyl 4-[(1R)-1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclobutylpiperidine-1-carboxamide
CID 158580700
1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone;(1S)-1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-methoxyethenyl)piperidin-4-yl]-2-methylpropan-1-ol;ethyl 4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate
CID 159368585
1-(5-chloro-1H-indazol-7-yl)-2-(1-cyclopropylsulfonylpiperidin-4-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(1-ethylsulfonylpiperidin-4-yl)-2-methylpropan-1-ol;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N,N-dimethylpiperidine-1-sulfonamide;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-propan-2-ylsulfonylpiperidin-4-yl)propan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-propylsulfonylpiperidin-4-yl)propan-1-ol
CID 159601263
4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide;bis(1-[4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone);(5-chloro-1H-indazol-7-yl)-[1-(1-methylsulfonylpiperidin-4-yl)cyclopropyl]methanol;methyl 4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate
CID 160309361

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol (CID 159364422) is 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol is C=C(C)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(C1CC1)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.C=C(CC)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)c2ccccc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(S(=O)(=O)c2ccccc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol?
The InChIKey is LIYGTIDBDSKVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2.C22H26ClN3O3S.C21H28ClN3O.C20H28ClN3O.C19H26ClN3O/c1-23(2,21(28)19-13-18(24)12-16-14-25-26-20(16)19)17-8-10-27(11-9-17)22(29)15-6-4-3-5-7-15;1-22(2,21(27)19-13-17(23)12-15-14-24-25-20(15)19)16-8-10-26(11-9-16)30(28,29)18-6-4-3-5-7-18;1-13(14-4-5-14)25-8-6-16(7-9-25)21(2,3)20(26)18-11-17(22)10-15-12-23-24-19(15)18;1-5-13(2)24-8-6-15(7-9-24)20(3,4)19(25)17-11-16(21)10-14-12-22-23-18(14)17;1-12(2)23-7-5-14(6-8-23)19(3,4)18(24)16-10-15(20)9-13-11-21-22-17(13)16/h3-7,12-14,17,21,28H,8-11H2,1-2H3,(H,25,26);3-7,12-14,16,21,27H,8-11H2,1-2H3,(H,24,25);10-12,14,16,20,26H,1,4-9H2,2-3H3,(H,23,24);10-12,15,19,25H,2,5-9H2,1,3-4H3,(H,22,23);9-11,14,18,24H,1,5-8H2,2-4H3,(H,21,22).
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol?
2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol has a molecular weight of 1943.66 g/mol, XLogP of 23.55, 23 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;2-(1-but-1-en-2-ylpiperidin-4-yl)-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-(1-cyclopropylethenyl)piperidin-4-yl]-2-methylpropan-1-ol;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-phenylmethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-ol is sourced from PubChem (CID 159364422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).