tert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol

C118H137Cl7F4N18O10 — CID 158103345

IUPACtert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(O)(c1cc(Cl)cc3cn[nH]c13)C2.CC1(C(O)c2cc(Cl)cc3cn[nH]c23)CC(F)(F)C1.CC1(C(O)c2cc(Cl)cc3cn[nH]c23)CCCC1.Cc1ccc2cn[nH]c2c1C(O)C1(C)CCCCC1.OC1(c2cc(Cl)cc3cn[nH]c23)CC2(CC2)C1.OC1(c2cc(Cl)cc3cn[nH]c23)CC2(CCC2)C1.OC1(c2cc(Cl)cc3cn[nH]c23)CC2(CCNCC2)C1.OC1(c2cc(Cl)cc3cn[nH]c23)CCC(F)(F)CC1
InChIInChI=1S/C20H26ClN3O3.C16H22N2O.C15H18ClN3O.C14H15ClN2O.C14H17ClN2O.2C13H13ClF2N2O.C13H13ClN2O/c1-18(2,3)27-17(25)24-6-4-19(5-7-24)11-20(26,12-19)15-9-14(21)8-13-10-22-23-16(13)15;1-11-6-7-12-10-17-18-14(12)13(11)15(19)16(2)8-4-3-5-9-16;16-11-5-10-7-18-19-13(10)12(6-11)15(20)8-14(9-15)1-3-17-4-2-14;15-10-4-9-6-16-17-12(9)11(5-10)14(18)7-13(8-14)2-1-3-13;1-14(4-2-3-5-14)13(18)11-7-10(15)6-9-8-16-17-12(9)11;1-12(5-13(15,16)6-12)11(19)9-3-8(14)2-7-4-17-18-10(7)9;14-9-5-8-7-17-18-11(8)10(6-9)12(19)1-3-13(15,16)4-2-12;14-9-3-8-5-15-16-11(8)10(4-9)13(17)6-12(7-13)1-2-12/h8-10,26H,4-7,11-12H2,1-3H3,(H,22,23);6-7,10,15,19H,3-5,8-9H2,1-2H3,(H,17,18);5-7,17,20H,1-4,8-9H2,(H,18,19);4-6,18H,1-3,7-8H2,(H,16,17);6-8,13,18H,2-5H2,1H3,(H,16,17);2-4,11,19H,5-6H2,1H3,(H,17,18);5-7,19H,1-4H2,(H,17,18);3-5,17H,1-2,6-7H2,(H,15,16)
InChIKeyFPNPVMRGJFQLOJ-UHFFFAOYSA-N
MW2291.67 g/mol
LogP28.13
Rot. Bonds11

About tert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol

tert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol (PubChem CID 158103345) has the molecular formula C118H137Cl7F4N18O10 and a molecular weight of 2291.67 g/mol. Its IUPAC name is tert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol.

Molecular Properties

Compound Nametert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol
PubChem CID158103345
Molecular FormulaC118H137Cl7F4N18O10
Molecular Weight2291.67 g/mol
Exact Mass2286.85
IUPAC Nametert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(O)(c1cc(Cl)cc3cn[nH]c13)C2.CC1(C(O)c2cc(Cl)cc3cn[nH]c23)CC(F)(F)C1.CC1(C(O)c2cc(Cl)cc3cn[nH]c23)CCCC1.Cc1ccc2cn[nH]c2c1C(O)C1(C)CCCCC1.OC1(c2cc(Cl)cc3cn[nH]c23)CC2(CC2)C1.OC1(c2cc(Cl)cc3cn[nH]c23)CC2(CCC2)C1.OC1(c2cc(Cl)cc3cn[nH]c23)CC2(CCNCC2)C1.OC1(c2cc(Cl)cc3cn[nH]c23)CCC(F)(F)CC1
InChIInChI=1S/C20H26ClN3O3.C16H22N2O.C15H18ClN3O.C14H15ClN2O.C14H17ClN2O.2C13H13ClF2N2O.C13H13ClN2O/c1-18(2,3)27-17(25)24-6-4-19(5-7-24)11-20(26,12-19)15-9-14(21)8-13-10-22-23-16(13)15;1-11-6-7-12-10-17-18-14(12)13(11)15(19)16(2)8-4-3-5-9-16;16-11-5-10-7-18-19-13(10)12(6-11)15(20)8-14(9-15)1-3-17-4-2-14;15-10-4-9-6-16-17-12(9)11(5-10)14(18)7-13(8-14)2-1-3-13;1-14(4-2-3-5-14)13(18)11-7-10(15)6-9-8-16-17-12(9)11;1-12(5-13(15,16)6-12)11(19)9-3-8(14)2-7-4-17-18-10(7)9;14-9-5-8-7-17-18-11(8)10(6-9)12(19)1-3-13(15,16)4-2-12;14-9-3-8-5-15-16-11(8)10(4-9)13(17)6-12(7-13)1-2-12/h8-10,26H,4-7,11-12H2,1-3H3,(H,22,23);6-7,10,15,19H,3-5,8-9H2,1-2H3,(H,17,18);5-7,17,20H,1-4,8-9H2,(H,18,19);4-6,18H,1-3,7-8H2,(H,16,17);6-8,13,18H,2-5H2,1H3,(H,16,17);2-4,11,19H,5-6H2,1H3,(H,17,18);5-7,19H,1-4H2,(H,17,18);3-5,17H,1-2,6-7H2,(H,15,16)
InChIKeyFPNPVMRGJFQLOJ-UHFFFAOYSA-N
XLogP28.13
TPSA432.85 Ų
H-Bond Donors17
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002291.67
LogP ≤ 528.13
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1019

Analyze tert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol with MolForge

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Related Compounds

bis(1-[(1S,5R)-8-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-3-azabicyclo[3.2.1]octan-3-yl]ethanone);(5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol;(5-chloro-1H-indazol-7-yl)-(4-methoxy-1-bicyclo[2.2.2]octanyl)methanol
CID 157577699
(5-chloro-1H-indazol-7-yl)-cyclobutylmethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclobutyl]methanol;(5-chloro-1H-indazol-7-yl)-[1-(1,1-difluoroethyl)cyclopropyl]methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclobutyl)methanol
CID 157654099
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-ethylpiperidine-1-sulfonamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-sulfonamide;4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-propan-2-ylpiperidine-1-sulfonamide;methyl 8-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyethyl]-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 157882538
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
1-(5-chloro-1H-indazol-7-yl)-4-fluoro-4-methylcyclohexan-1-ol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;(1-methylcyclohexyl)-(5-methyl-1H-indazol-7-yl)methanol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol;(1-methylcyclohexyl)-[5-(trifluoromethyl)-1H-indazol-7-yl]methanol
CID 158405157
(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
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
(6-chloro-5-fluoro-3H-isoindol-4-yl)-(1-methylcyclohexyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.5]nonan-2-ol;2-(5-chloro-1H-indazol-7-yl)spiro[3.4]octan-2-ol;[1-(1,1-difluoroethyl)cyclopentyl]-(6-methyl-1H-indazol-7-yl)methanol
CID 160080360
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
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
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(3-methylphenyl)piperidine-1-carboxamide;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-[4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;methyl 4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidine-1-carboxylate
CID 160895732

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol?
The IUPAC name of tert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol (CID 158103345) is tert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol.
What is the SMILES notation for tert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol?
The canonical SMILES for tert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol is CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)(c1cc(Cl)cc3cn[nH]c13)C2.CC1(C(O)c2cc(Cl)cc3cn[nH]c23)CC(F)(F)C1.CC1(C(O)c2cc(Cl)cc3cn[nH]c23)CCCC1.Cc1ccc2cn[nH]c2c1C(O)C1(C)CCCCC1.OC1(c2cc(Cl)cc3cn[nH]c23)CC2(CC2)C1.OC1(c2cc(Cl)cc3cn[nH]c23)CC2(CCC2)C1.OC1(c2cc(Cl)cc3cn[nH]c23)CC2(CCNCC2)C1.OC1(c2cc(Cl)cc3cn[nH]c23)CCC(F)(F)CC1.
What is the InChIKey of tert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol?
The InChIKey is FPNPVMRGJFQLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3.C16H22N2O.C15H18ClN3O.C14H15ClN2O.C14H17ClN2O.2C13H13ClF2N2O.C13H13ClN2O/c1-18(2,3)27-17(25)24-6-4-19(5-7-24)11-20(26,12-19)15-9-14(21)8-13-10-22-23-16(13)15;1-11-6-7-12-10-17-18-14(12)13(11)15(19)16(2)8-4-3-5-9-16;16-11-5-10-7-18-19-13(10)12(6-11)15(20)8-14(9-15)1-3-17-4-2-14;15-10-4-9-6-16-17-12(9)11(5-10)14(18)7-13(8-14)2-1-3-13;1-14(4-2-3-5-14)13(18)11-7-10(15)6-9-8-16-17-12(9)11;1-12(5-13(15,16)6-12)11(19)9-3-8(14)2-7-4-17-18-10(7)9;14-9-5-8-7-17-18-11(8)10(6-9)12(19)1-3-13(15,16)4-2-12;14-9-3-8-5-15-16-11(8)10(4-9)13(17)6-12(7-13)1-2-12/h8-10,26H,4-7,11-12H2,1-3H3,(H,22,23);6-7,10,15,19H,3-5,8-9H2,1-2H3,(H,17,18);5-7,17,20H,1-4,8-9H2,(H,18,19);4-6,18H,1-3,7-8H2,(H,16,17);6-8,13,18H,2-5H2,1H3,(H,16,17);2-4,11,19H,5-6H2,1H3,(H,17,18);5-7,19H,1-4H2,(H,17,18);3-5,17H,1-2,6-7H2,(H,15,16).
What are the key properties of tert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol?
tert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol has a molecular weight of 2291.67 g/mol, XLogP of 28.13, 11 rotatable bonds, 17 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate;2-(5-chloro-1H-indazol-7-yl)-7-azaspiro[3.5]nonan-2-ol;1-(5-chloro-1H-indazol-7-yl)-4,4-difluorocyclohexan-1-ol;(5-chloro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclopentyl)methanol;2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol;5-(5-chloro-1H-indazol-7-yl)spiro[2.3]hexan-5-ol;(1-methylcyclohexyl)-(6-methyl-1H-indazol-7-yl)methanol is sourced from PubChem (CID 158103345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).