(5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol

C77H96Cl5FN10O7S — CID 159781549

IUPAC(5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol
SMILESCC(C)(C1CCN(S(C)(=O)=O)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(F)C1(C(O)c2cc(Cl)cc3cn[nH]c23)CCC1.CC1(C)CC(C(O)c2cc(Cl)cc3c2CN=C3)C1.CCC1CCC(C(O)c2cc(Cl)cc3cn[nH]c23)CC1.OC(c1cc(Cl)cc2cn[nH]c12)C1CC2(CCC2)C1
InChIInChI=1S/C17H24ClN3O3S.C16H21ClN2O.C15H17ClN2O.C15H18ClNO.C14H16ClFN2O/c1-17(2,12-4-6-21(7-5-12)25(3,23)24)16(22)14-9-13(18)8-11-10-19-20-15(11)14;1-2-10-3-5-11(6-4-10)16(20)14-8-13(17)7-12-9-18-19-15(12)14;16-11-4-9-8-17-18-13(9)12(5-11)14(19)10-6-15(7-10)2-1-3-15;1-15(2)5-10(6-15)14(18)12-4-11(16)3-9-7-17-8-13(9)12;1-8(16)14(3-2-4-14)13(19)11-6-10(15)5-9-7-17-18-12(9)11/h8-10,12,16,22H,4-7H2,1-3H3,(H,19,20);7-11,16,20H,2-6H2,1H3,(H,18,19);4-5,8,10,14,19H,1-3,6-7H2,(H,17,18);3-4,7,10,14,18H,5-6,8H2,1-2H3;5-8,13,19H,2-4H2,1H3,(H,17,18)
InChIKeyNHKOTIHPLOPXLN-UHFFFAOYSA-N
MW1502.01 g/mol
LogP18.76
Rot. Bonds14

About (5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol

(5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol (PubChem CID 159781549) has the molecular formula C77H96Cl5FN10O7S and a molecular weight of 1502.01 g/mol. Its IUPAC name is (5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol.

Molecular Properties

Compound Name(5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol
PubChem CID159781549
Molecular FormulaC77H96Cl5FN10O7S
Molecular Weight1502.01 g/mol
Exact Mass1498.56
IUPAC Name(5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol
SMILESCC(C)(C1CCN(S(C)(=O)=O)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(F)C1(C(O)c2cc(Cl)cc3cn[nH]c23)CCC1.CC1(C)CC(C(O)c2cc(Cl)cc3c2CN=C3)C1.CCC1CCC(C(O)c2cc(Cl)cc3cn[nH]c23)CC1.OC(c1cc(Cl)cc2cn[nH]c12)C1CC2(CCC2)C1
InChIInChI=1S/C17H24ClN3O3S.C16H21ClN2O.C15H17ClN2O.C15H18ClNO.C14H16ClFN2O/c1-17(2,12-4-6-21(7-5-12)25(3,23)24)16(22)14-9-13(18)8-11-10-19-20-15(11)14;1-2-10-3-5-11(6-4-10)16(20)14-8-13(17)7-12-9-18-19-15(12)14;16-11-4-9-8-17-18-13(9)12(5-11)14(19)10-6-15(7-10)2-1-3-15;1-15(2)5-10(6-15)14(18)12-4-11(16)3-9-7-17-8-13(9)12;1-8(16)14(3-2-4-14)13(19)11-6-10(15)5-9-7-17-18-12(9)11/h8-10,12,16,22H,4-7H2,1-3H3,(H,19,20);7-11,16,20H,2-6H2,1H3,(H,18,19);4-5,8,10,14,19H,1-3,6-7H2,(H,17,18);3-4,7,10,14,18H,5-6,8H2,1-2H3;5-8,13,19H,2-4H2,1H3,(H,17,18)
InChIKeyNHKOTIHPLOPXLN-UHFFFAOYSA-N
XLogP18.76
TPSA265.61 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001502.01
LogP ≤ 518.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Analyze (5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol with MolForge

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Related Compounds

1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol;1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-(3-propan-2-ylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl)ethanol
CID 157380094
(5-chloro-6-fluoro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol;1-[4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylidene-1-oxothian-4-yl)propan-1-ol
CID 157446162
(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
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
7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-6-fluoro-1H-indazole;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2,2-dicyclopropylpropan-1-ol;1-(5-chloro-6-fluoro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2,2-dicyclopropylpropan-1-ol
CID 158699144
(5-chloro-1H-indazol-7-yl)-(1-cyclopropylcyclopropyl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclopropyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-(1,1-difluoroethyl)-3-(2-fluoropropan-2-yl)cyclobutan-1-ol;(5-chloro-1H-indazol-7-yl)-(1-ethylcyclobutyl)methanol;(5-chloro-1H-indazol-7-yl)-(4-methyl-1-bicyclo[2.2.2]octanyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)azetidin-3-yl]methanol
CID 158792390
2-(8-bicyclo[3.2.1]octanyl)-1-(5-chloro-1H-indazol-7-yl)ethanol;1-(5-chloro-1H-indazol-7-yl)-2-(1-ethylsulfonylpiperidin-4-yl)-2,2-difluoroethanol
CID 159640730
1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(1S,5S)-1'-(5-chloro-1H-indazol-7-yl)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-(5-chloro-1H-indazol-7-yl)-2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,3'-cyclobutane]-1'-ol;(5-chloro-1H-indazol-7-yl)-[1-[(3-methylphenyl)methyl]cyclobutyl]methanol;3-(6-chloro-3H-inden-4-yl)-1,1-dioxothietan-3-ol
CID 159903261
(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
1-bicyclo[2.2.2]octanyl-(5-chloro-4-fluoro-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-2,2-difluoro-2-[(1S,5R)-3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl]ethanol;4-[1-(5-chloro-1H-indazol-7-yl)ethyl]bicyclo[2.2.2]octan-1-ol;4-[1-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]-N-methylpiperidine-1-carboxamide
CID 160256381
(5-chloro-4,6-difluoro-1H-indazol-7-yl)-cyclobutylmethanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2-cyclobutyl-2-methylpropan-1-ol;(5-chloro-4,6-difluoro-1H-indazol-7-yl)-(1-cyclohexylcyclopropyl)methanol;1-(5-chloro-4,6-difluoro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol;1'-(5-chloro-4,6-difluoro-1H-indazol-7-yl)spiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1-(5-chloro-1H-indazol-7-yl)-3,3-difluoro-2,2-dimethylbutan-1-ol
CID 161891907
(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

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol?
The IUPAC name of (5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol (CID 159781549) is (5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol.
What is the SMILES notation for (5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol?
The canonical SMILES for (5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol is CC(C)(C1CCN(S(C)(=O)=O)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(F)C1(C(O)c2cc(Cl)cc3cn[nH]c23)CCC1.CC1(C)CC(C(O)c2cc(Cl)cc3c2CN=C3)C1.CCC1CCC(C(O)c2cc(Cl)cc3cn[nH]c23)CC1.OC(c1cc(Cl)cc2cn[nH]c12)C1CC2(CCC2)C1.
What is the InChIKey of (5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol?
The InChIKey is NHKOTIHPLOPXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3S.C16H21ClN2O.C15H17ClN2O.C15H18ClNO.C14H16ClFN2O/c1-17(2,12-4-6-21(7-5-12)25(3,23)24)16(22)14-9-13(18)8-11-10-19-20-15(11)14;1-2-10-3-5-11(6-4-10)16(20)14-8-13(17)7-12-9-18-19-15(12)14;16-11-4-9-8-17-18-13(9)12(5-11)14(19)10-6-15(7-10)2-1-3-15;1-15(2)5-10(6-15)14(18)12-4-11(16)3-9-7-17-8-13(9)12;1-8(16)14(3-2-4-14)13(19)11-6-10(15)5-9-7-17-18-12(9)11/h8-10,12,16,22H,4-7H2,1-3H3,(H,19,20);7-11,16,20H,2-6H2,1H3,(H,18,19);4-5,8,10,14,19H,1-3,6-7H2,(H,17,18);3-4,7,10,14,18H,5-6,8H2,1-2H3;5-8,13,19H,2-4H2,1H3,(H,17,18).
What are the key properties of (5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol?
(5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol has a molecular weight of 1502.01 g/mol, XLogP of 18.76, 14 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indazol-7-yl)-(4-ethylcyclohexyl)methanol;(5-chloro-1H-indazol-7-yl)-[1-(1-fluoroethyl)cyclobutyl]methanol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylsulfonylpiperidin-4-yl)propan-1-ol;(5-chloro-1H-indazol-7-yl)-spiro[3.3]heptan-2-ylmethanol;(6-chloro-3H-isoindol-4-yl)-(3,3-dimethylcyclobutyl)methanol is sourced from PubChem (CID 159781549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).