(2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone

C94H132Cl5N19O13 — CID 159314464

IUPAC(2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCN(O)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CNCC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CON(C)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C[C@@H](O)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C[C@H](N)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C19H27ClN4O3.2C19H27ClN4O2.C19H26ClN3O3.C18H25ClN4O3/c1-19(2,13-5-7-24(8-6-13)18(26)23(3)27-4)17(25)15-10-14(20)9-12-11-21-22-16(12)15;1-19(2,13-4-6-24(7-5-13)16(25)11-21-3)18(26)15-9-14(20)8-12-10-22-23-17(12)15;1-11(21)18(26)24-6-4-13(5-7-24)19(2,3)17(25)15-9-14(20)8-12-10-22-23-16(12)15;1-11(24)18(26)23-6-4-13(5-7-23)19(2,3)17(25)15-9-14(20)8-12-10-21-22-16(12)15;1-18(2,12-4-6-23(7-5-12)17(25)22(3)26)16(24)14-9-13(19)8-11-10-20-21-15(11)14/h9-11,13,17,25H,5-8H2,1-4H3,(H,21,22);8-10,13,18,21,26H,4-7,11H2,1-3H3,(H,22,23);8-11,13,17,25H,4-7,21H2,1-3H3,(H,22,23);8-11,13,17,24-25H,4-7H2,1-3H3,(H,21,22);8-10,12,16,24,26H,4-7H2,1-3H3,(H,20,21)/t17-;18-;11-,17+;11-,17-;16-/m11011/s1
InChIKeyLCYQBPLXUQYRRL-HNUJUVEXSA-N
MW1913.47 g/mol
LogP15.52
Rot. Bonds20

About (2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone

(2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 159314464) has the molecular formula C94H132Cl5N19O13 and a molecular weight of 1913.47 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID159314464
Molecular FormulaC94H132Cl5N19O13
Molecular Weight1913.47 g/mol
Exact Mass1909.87
IUPAC Name(2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCN(O)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CNCC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CON(C)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C[C@@H](O)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C[C@H](N)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C19H27ClN4O3.2C19H27ClN4O2.C19H26ClN3O3.C18H25ClN4O3/c1-19(2,13-5-7-24(8-6-13)18(26)23(3)27-4)17(25)15-10-14(20)9-12-11-21-22-16(12)15;1-19(2,13-4-6-24(7-5-13)16(25)11-21-3)18(26)15-9-14(20)8-12-10-22-23-17(12)15;1-11(21)18(26)24-6-4-13(5-7-24)19(2,3)17(25)15-9-14(20)8-12-10-22-23-16(12)15;1-11(24)18(26)23-6-4-13(5-7-23)19(2,3)17(25)15-9-14(20)8-12-10-21-22-16(12)15;1-18(2,12-4-6-23(7-5-12)17(25)22(3)26)16(24)14-9-13(19)8-11-10-20-21-15(11)14/h9-11,13,17,25H,5-8H2,1-4H3,(H,21,22);8-10,13,18,21,26H,4-7,11H2,1-3H3,(H,22,23);8-11,13,17,25H,4-7,21H2,1-3H3,(H,22,23);8-11,13,17,24-25H,4-7H2,1-3H3,(H,21,22);8-10,12,16,24,26H,4-7H2,1-3H3,(H,20,21)/t17-;18-;11-,17+;11-,17-;16-/m11011/s1
InChIKeyLCYQBPLXUQYRRL-HNUJUVEXSA-N
XLogP15.52
TPSA440.32 Ų
H-Bond Donors14
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001913.47
LogP ≤ 515.52
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of (2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone (CID 159314464) is (2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for (2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for (2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone is CN(O)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CNCC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CON(C)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C[C@@H](O)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.C[C@H](N)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is LCYQBPLXUQYRRL-HNUJUVEXSA-N. The full InChI is InChI=1S/C19H27ClN4O3.2C19H27ClN4O2.C19H26ClN3O3.C18H25ClN4O3/c1-19(2,13-5-7-24(8-6-13)18(26)23(3)27-4)17(25)15-10-14(20)9-12-11-21-22-16(12)15;1-19(2,13-4-6-24(7-5-13)16(25)11-21-3)18(26)15-9-14(20)8-12-10-22-23-17(12)15;1-11(21)18(26)24-6-4-13(5-7-24)19(2,3)17(25)15-9-14(20)8-12-10-22-23-16(12)15;1-11(24)18(26)23-6-4-13(5-7-23)19(2,3)17(25)15-9-14(20)8-12-10-21-22-16(12)15;1-18(2,12-4-6-23(7-5-12)17(25)22(3)26)16(24)14-9-13(19)8-11-10-20-21-15(11)14/h9-11,13,17,25H,5-8H2,1-4H3,(H,21,22);8-10,13,18,21,26H,4-7,11H2,1-3H3,(H,22,23);8-11,13,17,25H,4-7,21H2,1-3H3,(H,22,23);8-11,13,17,24-25H,4-7H2,1-3H3,(H,21,22);8-10,12,16,24,26H,4-7H2,1-3H3,(H,20,21)/t17-;18-;11-,17+;11-,17-;16-/m11011/s1.
What are the key properties of (2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone?
(2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 1913.47 g/mol, XLogP of 15.52, 20 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide;(2R)-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 159314464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).