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

C111H143Cl5F2N18O13 — CID 158580700

IUPACN-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
SMILESCC(C)(C)OC(=O)N1CCC(C(C)(C)[C@@H](O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@H](O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)NC(=O)c2ccccc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NC2CCC2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NCc2ccccc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C24H27ClN4O3.C24H29ClN4O2.2C21H29ClFN3O3.C21H29ClN4O2/c1-24(2,21(30)19-13-18(25)12-16-14-26-28-20(16)19)17-8-10-29(11-9-17)23(32)27-22(31)15-6-4-3-5-7-15;1-24(2,22(30)20-13-19(25)12-17-15-27-28-21(17)20)18-8-10-29(11-9-18)23(31)26-14-16-6-4-3-5-7-16;2*1-20(2,3)29-19(28)26-8-6-13(7-9-26)21(4,5)18(27)15-16(23)14(22)10-12-11-24-25-17(12)15;1-21(2,19(27)17-11-15(22)10-13-12-23-25-18(13)17)14-6-8-26(9-7-14)20(28)24-16-4-3-5-16/h3-7,12-14,17,21,30H,8-11H2,1-2H3,(H,26,28)(H,27,31,32);3-7,12-13,15,18,22,30H,8-11,14H2,1-2H3,(H,26,31)(H,27,28);2*10-11,13,18,27H,6-9H2,1-5H3,(H,24,25);10-12,14,16,19,27H,3-9H2,1-2H3,(H,23,25)(H,24,28)/t;;2*18-;/m..10./s1
InChIKeyHTFKBROXVIBXOT-ODJWXCIKSA-N
MW2152.74 g/mol
LogP23.81
Rot. Bonds19

About 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

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 (PubChem CID 158580700) has the molecular formula C111H143Cl5F2N18O13 and a molecular weight of 2152.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID158580700
Molecular FormulaC111H143Cl5F2N18O13
Molecular Weight2152.74 g/mol
Exact Mass2148.95
IUPAC NameN-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
SMILESCC(C)(C)OC(=O)N1CCC(C(C)(C)[C@@H](O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@H](O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)NC(=O)c2ccccc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NC2CCC2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NCc2ccccc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C24H27ClN4O3.C24H29ClN4O2.2C21H29ClFN3O3.C21H29ClN4O2/c1-24(2,21(30)19-13-18(25)12-16-14-26-28-20(16)19)17-8-10-29(11-9-17)23(32)27-22(31)15-6-4-3-5-7-15;1-24(2,22(30)20-13-19(25)12-17-15-27-28-21(17)20)18-8-10-29(11-9-18)23(31)26-14-16-6-4-3-5-7-16;2*1-20(2,3)29-19(28)26-8-6-13(7-9-26)21(4,5)18(27)15-16(23)14(22)10-12-11-24-25-17(12)15;1-21(2,19(27)17-11-15(22)10-13-12-23-25-18(13)17)14-6-8-26(9-7-14)20(28)24-16-4-3-5-16/h3-7,12-14,17,21,30H,8-11H2,1-2H3,(H,26,28)(H,27,31,32);3-7,12-13,15,18,22,30H,8-11,14H2,1-2H3,(H,26,31)(H,27,28);2*10-11,13,18,27H,6-9H2,1-5H3,(H,24,25);10-12,14,16,19,27H,3-9H2,1-2H3,(H,23,25)(H,24,28)/t;;2*18-;/m..10./s1
InChIKeyHTFKBROXVIBXOT-ODJWXCIKSA-N
XLogP23.81
TPSA417.72 Ų
H-Bond Donors13
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002152.74
LogP ≤ 523.81
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Launch Full Analysis

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
[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-cyclopropylmethanone;[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]-pyridin-3-ylmethanone;4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[(1R,5S)-3-[3-(5-chloro-1H-indazol-7-yl)-2-methylbutan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;methyl 4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate
CID 158670991
tert-butyl 4-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxylate;1-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]propan-1-one;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1R)-1-phenylethyl]piperidine-1-carboxamide;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(2-chloro-6-methylphenyl)methanone
CID 159040593
(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
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
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
tert-butyl 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-cyclopenta-1,3-dien-1-ylpiperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3,3-difluorobutyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(methyl-methylidene-oxo-lambda6-sulfanyl)methyl]piperidine-1-carboxamide
CID 160180998

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@@H](O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.CC(C)(C)OC(=O)N1CCC(C(C)(C)[C@H](O)c2c(F)c(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCN(C(=O)NC(=O)c2ccccc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NC2CCC2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NCc2ccccc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 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?
The InChIKey is HTFKBROXVIBXOT-ODJWXCIKSA-N. The full InChI is InChI=1S/C24H27ClN4O3.C24H29ClN4O2.2C21H29ClFN3O3.C21H29ClN4O2/c1-24(2,21(30)19-13-18(25)12-16-14-26-28-20(16)19)17-8-10-29(11-9-17)23(32)27-22(31)15-6-4-3-5-7-15;1-24(2,22(30)20-13-19(25)12-17-15-27-28-21(17)20)18-8-10-29(11-9-18)23(31)26-14-16-6-4-3-5-7-16;2*1-20(2,3)29-19(28)26-8-6-13(7-9-26)21(4,5)18(27)15-16(23)14(22)10-12-11-24-25-17(12)15;1-21(2,19(27)17-11-15(22)10-13-12-23-25-18(13)17)14-6-8-26(9-7-14)20(28)24-16-4-3-5-16/h3-7,12-14,17,21,30H,8-11H2,1-2H3,(H,26,28)(H,27,31,32);3-7,12-13,15,18,22,30H,8-11,14H2,1-2H3,(H,26,31)(H,27,28);2*10-11,13,18,27H,6-9H2,1-5H3,(H,24,25);10-12,14,16,19,27H,3-9H2,1-2H3,(H,23,25)(H,24,28)/t;;2*18-;/m..10./s1.
What are the key properties of 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?
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 has a molecular weight of 2152.74 g/mol, XLogP of 23.81, 19 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158580700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).