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

C80H94Cl5F6N11O6S — CID 158699144

IUPAC7-[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
SMILESCC(C)(C1CCN(S(C)(=O)=O)CC1)C(O)c1c(F)c(Cl)cc2cn[nH]c12.CC(C1CC1)(C1CC1)C(O)c1c(F)c(Cl)cc2cn[nH]c12.CC(C1CC1)(C1CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(c1c(F)c(Cl)cc2cn[nH]c12)C1CC2CCC1C2.OC(c1c(F)c(Cl)cc2cn[nH]c12)C(F)(F)C1CCCCC1
InChIInChI=1S/C17H23ClFN3O3S.C16H18ClFN2O.C16H18ClFN2.C16H19ClN2O.C15H16ClF3N2O/c1-17(2,11-4-6-22(7-5-11)26(3,24)25)16(23)13-14(19)12(18)8-10-9-20-21-15(10)13;1-16(9-2-3-9,10-4-5-10)15(21)12-13(18)11(17)6-8-7-19-20-14(8)12;1-8(12-5-9-2-3-10(12)4-9)14-15(18)13(17)6-11-7-19-20-16(11)14;1-16(10-2-3-10,11-4-5-11)15(20)13-7-12(17)6-9-8-18-19-14(9)13;16-10-6-8-7-20-21-13(8)11(12(10)17)14(22)15(18,19)9-4-2-1-3-5-9/h8-9,11,16,23H,4-7H2,1-3H3,(H,20,21);6-7,9-10,15,21H,2-5H2,1H3,(H,19,20);6-10,12H,2-5H2,1H3,(H,19,20);6-8,10-11,15,20H,2-5H2,1H3,(H,18,19);6-7,9,14,22H,1-5H2,(H,20,21)
InChIKeyIHHWDNWCJAOKHV-UHFFFAOYSA-N
MW1629.02 g/mol
LogP20.88
Rot. Bonds17

About 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

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 (PubChem CID 158699144) has the molecular formula C80H94Cl5F6N11O6S and a molecular weight of 1629.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[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
PubChem CID158699144
Molecular FormulaC80H94Cl5F6N11O6S
Molecular Weight1629.02 g/mol
Exact Mass1625.55
IUPAC Name7-[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
SMILESCC(C)(C1CCN(S(C)(=O)=O)CC1)C(O)c1c(F)c(Cl)cc2cn[nH]c12.CC(C1CC1)(C1CC1)C(O)c1c(F)c(Cl)cc2cn[nH]c12.CC(C1CC1)(C1CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(c1c(F)c(Cl)cc2cn[nH]c12)C1CC2CCC1C2.OC(c1c(F)c(Cl)cc2cn[nH]c12)C(F)(F)C1CCCCC1
InChIInChI=1S/C17H23ClFN3O3S.C16H18ClFN2O.C16H18ClFN2.C16H19ClN2O.C15H16ClF3N2O/c1-17(2,11-4-6-22(7-5-11)26(3,24)25)16(23)13-14(19)12(18)8-10-9-20-21-15(10)13;1-16(9-2-3-9,10-4-5-10)15(21)12-13(18)11(17)6-8-7-19-20-14(8)12;1-8(12-5-9-2-3-10(12)4-9)14-15(18)13(17)6-11-7-19-20-16(11)14;1-16(10-2-3-10,11-4-5-11)15(20)13-7-12(17)6-9-8-18-19-14(9)13;16-10-6-8-7-20-21-13(8)11(12(10)17)14(22)15(18,19)9-4-2-1-3-5-9/h8-9,11,16,23H,4-7H2,1-3H3,(H,20,21);6-7,9-10,15,21H,2-5H2,1H3,(H,19,20);6-10,12H,2-5H2,1H3,(H,19,20);6-8,10-11,15,20H,2-5H2,1H3,(H,18,19);6-7,9,14,22H,1-5H2,(H,20,21)
InChIKeyIHHWDNWCJAOKHV-UHFFFAOYSA-N
XLogP20.88
TPSA261.70 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001629.02
LogP ≤ 520.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Analyze 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 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-6-fluoro-1H-indazol-7-yl)-[4-(1,1-difluoroethyl)-1-bicyclo[2.2.2]octanyl]methanol;1-[3-[1-(5-chloro-6-fluoro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;bis(1-[(1S,5R)-8-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-3-azabicyclo[3.2.1]octan-3-yl]ethanone)
CID 157638259
(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-[4-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidin-1-yl]ethanone;1-[4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone;1-(5-chloro-1H-indazol-7-yl)-2,2-difluoro-2-[(1S,5R)-3-methylsulfonyl-3-azabicyclo[3.2.1]octan-8-yl]ethanol
CID 158731529
(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
(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
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C1CCN(S(C)(=O)=O)CC1)C(O)c1c(F)c(Cl)cc2cn[nH]c12.CC(C1CC1)(C1CC1)C(O)c1c(F)c(Cl)cc2cn[nH]c12.CC(C1CC1)(C1CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(c1c(F)c(Cl)cc2cn[nH]c12)C1CC2CCC1C2.OC(c1c(F)c(Cl)cc2cn[nH]c12)C(F)(F)C1CCCCC1.
What is the InChIKey of 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?
The InChIKey is IHHWDNWCJAOKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFN3O3S.C16H18ClFN2O.C16H18ClFN2.C16H19ClN2O.C15H16ClF3N2O/c1-17(2,11-4-6-22(7-5-11)26(3,24)25)16(23)13-14(19)12(18)8-10-9-20-21-15(10)13;1-16(9-2-3-9,10-4-5-10)15(21)12-13(18)11(17)6-8-7-19-20-14(8)12;1-8(12-5-9-2-3-10(12)4-9)14-15(18)13(17)6-11-7-19-20-16(11)14;1-16(10-2-3-10,11-4-5-11)15(20)13-7-12(17)6-9-8-18-19-14(9)13;16-10-6-8-7-20-21-13(8)11(12(10)17)14(22)15(18,19)9-4-2-1-3-5-9/h8-9,11,16,23H,4-7H2,1-3H3,(H,20,21);6-7,9-10,15,21H,2-5H2,1H3,(H,19,20);6-10,12H,2-5H2,1H3,(H,19,20);6-8,10-11,15,20H,2-5H2,1H3,(H,18,19);6-7,9,14,22H,1-5H2,(H,20,21).
What are the key properties of 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?
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 has a molecular weight of 1629.02 g/mol, XLogP of 20.88, 17 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158699144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).