2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide

C103H141Cl5F3N21O14 — CID 158784043

IUPAC2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)NOCC(F)(F)F)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NOc2ccccc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(N)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)ONC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CN(C)CCONC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C23H27ClN4O3.C21H32ClN5O3.C20H29ClN4O3.C20H29ClN4O2.C19H24ClF3N4O3/c1-23(2,21(29)19-13-17(24)12-15-14-25-26-20(15)19)16-8-10-28(11-9-16)22(30)27-31-18-6-4-3-5-7-18;1-21(2,19(28)17-12-16(22)11-14-13-23-24-18(14)17)15-5-7-27(8-6-15)20(29)25-30-10-9-26(3)4;1-12(2)28-24-19(27)25-7-5-14(6-8-25)20(3,4)18(26)16-10-15(21)9-13-11-22-23-17(13)16;1-19(2,13-5-7-25(8-6-13)18(27)20(3,4)22)17(26)15-10-14(21)9-12-11-23-24-16(12)15;1-18(2,16(28)14-8-13(20)7-11-9-24-25-15(11)14)12-3-5-27(6-4-12)17(29)26-30-10-19(21,22)23/h3-7,12-14,16,21,29H,8-11H2,1-2H3,(H,25,26)(H,27,30);11-13,15,19,28H,5-10H2,1-4H3,(H,23,24)(H,25,29);9-12,14,18,26H,5-8H2,1-4H3,(H,22,23)(H,24,27);9-11,13,17,26H,5-8,22H2,1-4H3,(H,23,24);7-9,12,16,28H,3-6,10H2,1-2H3,(H,24,25)(H,26,29)/t21-;19-;18-;17-;16-/m11111/s1
InChIKeyIRLICNWGQIRZGX-MRZYQTTISA-N
MW2131.65 g/mol
LogP19.36
Rot. Bonds26

About 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide

2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide (PubChem CID 158784043) has the molecular formula C103H141Cl5F3N21O14 and a molecular weight of 2131.65 g/mol. Its IUPAC name is 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide
PubChem CID158784043
Molecular FormulaC103H141Cl5F3N21O14
Molecular Weight2131.65 g/mol
Exact Mass2127.94
IUPAC Name2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)NOCC(F)(F)F)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NOc2ccccc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(N)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)ONC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CN(C)CCONC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C23H27ClN4O3.C21H32ClN5O3.C20H29ClN4O3.C20H29ClN4O2.C19H24ClF3N4O3/c1-23(2,21(29)19-13-17(24)12-15-14-25-26-20(15)19)16-8-10-28(11-9-16)22(30)27-31-18-6-4-3-5-7-18;1-21(2,19(28)17-12-16(22)11-14-13-23-24-18(14)17)15-5-7-27(8-6-15)20(29)25-30-10-9-26(3)4;1-12(2)28-24-19(27)25-7-5-14(6-8-25)20(3,4)18(26)16-10-15(21)9-13-11-22-23-17(13)16;1-19(2,13-5-7-25(8-6-13)18(27)20(3,4)22)17(26)15-10-14(21)9-12-11-23-24-16(12)15;1-18(2,16(28)14-8-13(20)7-11-9-24-25-15(11)14)12-3-5-27(6-4-12)17(29)26-30-10-19(21,22)23/h3-7,12-14,16,21,29H,8-11H2,1-2H3,(H,25,26)(H,27,30);11-13,15,19,28H,5-10H2,1-4H3,(H,23,24)(H,25,29);9-12,14,18,26H,5-8H2,1-4H3,(H,22,23)(H,24,27);9-11,13,17,26H,5-8,22H2,1-4H3,(H,23,24);7-9,12,16,28H,3-6,10H2,1-2H3,(H,24,25)(H,26,29)/t21-;19-;18-;17-;16-/m11111/s1
InChIKeyIRLICNWGQIRZGX-MRZYQTTISA-N
XLogP19.36
TPSA460.40 Ų
H-Bond Donors15
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002131.65
LogP ≤ 519.36
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide with MolForge

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Related Compounds

(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropyl-8-azabicyclo[3.2.1]octane-8-carboxamide;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;(1R,5S)-3-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethyl-8-azabicyclo[3.2.1]octane-8-carboxamide;1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]but-3-yn-1-one
CID 157262870
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2-difluoropropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 157860493
N-[4-(5-chloro-1H-indazol-7-yl)-4-hydroxy-2-methylbutan-2-yl]propanamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopropylpiperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2-difluoropropyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-ethynylphenyl)piperidine-1-carboxamide;2,2-difluoropropyl 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate
CID 158060698
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-phenylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclopropylethanone;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-3-methylbutan-1-one;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 158279745
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide;[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclopropylmethanone;bis(1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone)
CID 158287937
(S)-1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;(R)-1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-ethylpiperidine-1-carboxamide;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;2-(5-chloro-1H-indazol-7-yl)adamantan-2-ol
CID 159272892
1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-2-cyclohexylethanone;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-pyridin-2-ylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 159334350
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-cyclohexylpiperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one
CID 159891514
N-butyl-4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2,2-difluoropropan-1-one;[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-fluorocyclopropyl)methanone
CID 160610614
(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-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[3-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 160964186
(S)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;(R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;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;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-ethylpiperidine-1-carboxamide
CID 161429421

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide?
The IUPAC name of 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide (CID 158784043) is 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide.
What is the SMILES notation for 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide?
The canonical SMILES for 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)NOCC(F)(F)F)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NOc2ccccc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(N)C(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)ONC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.CN(C)CCONC(=O)N1CCC(C(C)(C)[C@H](O)c2cc(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide?
The InChIKey is IRLICNWGQIRZGX-MRZYQTTISA-N. The full InChI is InChI=1S/C23H27ClN4O3.C21H32ClN5O3.C20H29ClN4O3.C20H29ClN4O2.C19H24ClF3N4O3/c1-23(2,21(29)19-13-17(24)12-15-14-25-26-20(15)19)16-8-10-28(11-9-16)22(30)27-31-18-6-4-3-5-7-18;1-21(2,19(28)17-12-16(22)11-14-13-23-24-18(14)17)15-5-7-27(8-6-15)20(29)25-30-10-9-26(3)4;1-12(2)28-24-19(27)25-7-5-14(6-8-25)20(3,4)18(26)16-10-15(21)9-13-11-22-23-17(13)16;1-19(2,13-5-7-25(8-6-13)18(27)20(3,4)22)17(26)15-10-14(21)9-12-11-23-24-16(12)15;1-18(2,16(28)14-8-13(20)7-11-9-24-25-15(11)14)12-3-5-27(6-4-12)17(29)26-30-10-19(21,22)23/h3-7,12-14,16,21,29H,8-11H2,1-2H3,(H,25,26)(H,27,30);11-13,15,19,28H,5-10H2,1-4H3,(H,23,24)(H,25,29);9-12,14,18,26H,5-8H2,1-4H3,(H,22,23)(H,24,27);9-11,13,17,26H,5-8,22H2,1-4H3,(H,23,24);7-9,12,16,28H,3-6,10H2,1-2H3,(H,24,25)(H,26,29)/t21-;19-;18-;17-;16-/m11111/s1.
What are the key properties of 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide?
2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide has a molecular weight of 2131.65 g/mol, XLogP of 19.36, 26 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(dimethylamino)ethoxy]piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-phenoxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propan-2-yloxypiperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 158784043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).