1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol

C71H83Cl5N10O4 — CID 158198555

IUPAC1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol
SMILESCC(c1cc(Cl)cc2cn[nH]c12)C12CC(C1)C2.CC1(C(O)c2c(Cl)ccc3cn[nH]c23)CCCCC1.OC(CC1CCCCC1)c1cc(Cl)cc2cn[nH]c12.OC(c1cc(Cl)cc2cn[nH]c12)C12CCC(CC1)CC2.OC1(c2cc(Cl)cc3cn[nH]c23)CCC1
InChIInChI=1S/C16H19ClN2O.2C15H19ClN2O.C14H15ClN2.C11H11ClN2O/c17-12-7-11-9-18-19-14(11)13(8-12)15(20)16-4-1-10(2-5-16)3-6-16;1-15(7-3-2-4-8-15)14(19)12-11(16)6-5-10-9-17-18-13(10)12;16-12-7-11-9-17-18-15(11)13(8-12)14(19)6-10-4-2-1-3-5-10;1-8(14-4-9(5-14)6-14)12-3-11(15)2-10-7-16-17-13(10)12;12-8-4-7-6-13-14-10(7)9(5-8)11(15)2-1-3-11/h7-10,15,20H,1-6H2,(H,18,19);5-6,9,14,19H,2-4,7-8H2,1H3,(H,17,18);7-10,14,19H,1-6H2,(H,17,18);2-3,7-9H,4-6H2,1H3,(H,16,17);4-6,15H,1-3H2,(H,13,14)
InChIKeyGAQKUBKRLDUFQO-UHFFFAOYSA-N
MW1317.78 g/mol
LogP19.37
Rot. Bonds10

About 1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol

1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol (PubChem CID 158198555) has the molecular formula C71H83Cl5N10O4 and a molecular weight of 1317.78 g/mol. Its IUPAC name is 1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol
PubChem CID158198555
Molecular FormulaC71H83Cl5N10O4
Molecular Weight1317.78 g/mol
Exact Mass1314.50
IUPAC Name1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol
SMILESCC(c1cc(Cl)cc2cn[nH]c12)C12CC(C1)C2.CC1(C(O)c2c(Cl)ccc3cn[nH]c23)CCCCC1.OC(CC1CCCCC1)c1cc(Cl)cc2cn[nH]c12.OC(c1cc(Cl)cc2cn[nH]c12)C12CCC(CC1)CC2.OC1(c2cc(Cl)cc3cn[nH]c23)CCC1
InChIInChI=1S/C16H19ClN2O.2C15H19ClN2O.C14H15ClN2.C11H11ClN2O/c17-12-7-11-9-18-19-14(11)13(8-12)15(20)16-4-1-10(2-5-16)3-6-16;1-15(7-3-2-4-8-15)14(19)12-11(16)6-5-10-9-17-18-13(10)12;16-12-7-11-9-17-18-15(11)13(8-12)14(19)6-10-4-2-1-3-5-10;1-8(14-4-9(5-14)6-14)12-3-11(15)2-10-7-16-17-13(10)12;12-8-4-7-6-13-14-10(7)9(5-8)11(15)2-1-3-11/h7-10,15,20H,1-6H2,(H,18,19);5-6,9,14,19H,2-4,7-8H2,1H3,(H,17,18);7-10,14,19H,1-6H2,(H,17,18);2-3,7-9H,4-6H2,1H3,(H,16,17);4-6,15H,1-3H2,(H,13,14)
InChIKeyGAQKUBKRLDUFQO-UHFFFAOYSA-N
XLogP19.37
TPSA224.32 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001317.78
LogP ≤ 519.37
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol with MolForge

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Related Compounds

(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
(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
1-(5-chloro-4-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-4-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(1-cyclohexylcyclopropyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclohexyl]ethanone;2-cyclohexyl-1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol
CID 159804418
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
(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
1-adamantyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(4-chloro-1H-indazol-7-yl)-cyclohexylmethanol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-cyclopentylmethanol;(5-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol;(6-chloro-3H-isoindol-4-yl)-pyridin-3-ylmethanol
CID 157258961
1-adamantyl-(5-chloro-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-3-cyclohexylpropan-1-ol;5-chloro-7-[1-(1-methylcyclohexyl)ethyl]-1H-indazole
CID 157510505
2-(5-chloro-1H-indazol-7-yl)-7-cyclopropylsulfonyl-7-azaspiro[3.5]nonan-2-ol;(5-chloro-1H-indazol-7-yl)-(1,4-difluoro-4-methylcyclohexyl)methanol;2-(5-chloro-1H-indazol-7-yl)-7-methylsulfonyl-7-azaspiro[3.5]nonan-2-ol;2-(5,6-dichloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol
CID 157968517
7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol
CID 158009478
1-adamantyl-(6-methyl-1H-indazol-7-yl)methanol;1-(5-chloro-1H-indazol-7-yl)-3-[(methyl-methylidene-oxo-lambda6-sulfanyl)methyl]cyclobutan-1-ol;bis(2-(5-chloro-1H-indazol-7-yl)spiro[3.3]heptan-2-ol);(5-fluoro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol
CID 158086349

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol?
The IUPAC name of 1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol (CID 158198555) is 1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol.
What is the SMILES notation for 1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol?
The canonical SMILES for 1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol is CC(c1cc(Cl)cc2cn[nH]c12)C12CC(C1)C2.CC1(C(O)c2c(Cl)ccc3cn[nH]c23)CCCCC1.OC(CC1CCCCC1)c1cc(Cl)cc2cn[nH]c12.OC(c1cc(Cl)cc2cn[nH]c12)C12CCC(CC1)CC2.OC1(c2cc(Cl)cc3cn[nH]c23)CCC1.
What is the InChIKey of 1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol?
The InChIKey is GAQKUBKRLDUFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O.2C15H19ClN2O.C14H15ClN2.C11H11ClN2O/c17-12-7-11-9-18-19-14(11)13(8-12)15(20)16-4-1-10(2-5-16)3-6-16;1-15(7-3-2-4-8-15)14(19)12-11(16)6-5-10-9-17-18-13(10)12;16-12-7-11-9-17-18-15(11)13(8-12)14(19)6-10-4-2-1-3-5-10;1-8(14-4-9(5-14)6-14)12-3-11(15)2-10-7-16-17-13(10)12;12-8-4-7-6-13-14-10(7)9(5-8)11(15)2-1-3-11/h7-10,15,20H,1-6H2,(H,18,19);5-6,9,14,19H,2-4,7-8H2,1H3,(H,17,18);7-10,14,19H,1-6H2,(H,17,18);2-3,7-9H,4-6H2,1H3,(H,16,17);4-6,15H,1-3H2,(H,13,14).
What are the key properties of 1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol?
1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol has a molecular weight of 1317.78 g/mol, XLogP of 19.37, 10 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.2]octanyl-(5-chloro-1H-indazol-7-yl)methanol;7-[1-(1-bicyclo[1.1.1]pentanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-7-yl)-(1-methylcyclohexyl)methanol is sourced from PubChem (CID 158198555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).