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

C105H123Cl7N14O7 — CID 157258961

IUPAC1-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
SMILESCC1(C(O)c2cc(Cl)cc3cn[nH]c23)CCCCC1.OC(CC1CCCCC1)c1cc(Cl)cc2cn[nH]c12.OC(CCC1CCCCC1)c1cc(Cl)cc2cn[nH]c12.OC(c1cc(Cl)cc2cn[nH]c12)C12CC3CC(CC(C3)C1)C2.OC(c1cc(Cl)cc2cn[nH]c12)C1CCCC1.OC(c1ccc(Cl)c2cn[nH]c12)C1CCCCC1.OC(c1cccnc1)c1cc(Cl)cc2c1CN=C2
InChIInChI=1S/C18H21ClN2O.C16H21ClN2O.2C15H19ClN2O.C14H11ClN2O.C14H17ClN2O.C13H15ClN2O/c19-14-4-13-9-20-21-16(13)15(5-14)17(22)18-6-10-1-11(7-18)3-12(2-10)8-18;17-13-8-12-10-18-19-16(12)14(9-13)15(20)7-6-11-4-2-1-3-5-11;1-15(5-3-2-4-6-15)14(19)12-8-11(16)7-10-9-17-18-13(10)12;16-12-7-11-9-17-18-15(11)13(8-12)14(19)6-10-4-2-1-3-5-10;15-11-4-10-7-17-8-13(10)12(5-11)14(18)9-2-1-3-16-6-9;15-12-7-6-10(13-11(12)8-16-17-13)14(18)9-4-2-1-3-5-9;14-10-5-9-7-15-16-12(9)11(6-10)13(17)8-3-1-2-4-8/h4-5,9-12,17,22H,1-3,6-8H2,(H,20,21);8-11,15,20H,1-7H2,(H,18,19);7-9,14,19H,2-6H2,1H3,(H,17,18);7-10,14,19H,1-6H2,(H,17,18);1-7,14,18H,8H2;6-9,14,18H,1-5H2,(H,16,17);5-8,13,17H,1-4H2,(H,15,16)
InChIKeyAXFQQWVZTGOKAF-UHFFFAOYSA-N
MW1941.40 g/mol
LogP27.54
Rot. Bonds17

About 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

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 (PubChem CID 157258961) has the molecular formula C105H123Cl7N14O7 and a molecular weight of 1941.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID157258961
Molecular FormulaC105H123Cl7N14O7
Molecular Weight1941.40 g/mol
Exact Mass1936.75
IUPAC Name1-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
SMILESCC1(C(O)c2cc(Cl)cc3cn[nH]c23)CCCCC1.OC(CC1CCCCC1)c1cc(Cl)cc2cn[nH]c12.OC(CCC1CCCCC1)c1cc(Cl)cc2cn[nH]c12.OC(c1cc(Cl)cc2cn[nH]c12)C12CC3CC(CC(C3)C1)C2.OC(c1cc(Cl)cc2cn[nH]c12)C1CCCC1.OC(c1ccc(Cl)c2cn[nH]c12)C1CCCCC1.OC(c1cccnc1)c1cc(Cl)cc2c1CN=C2
InChIInChI=1S/C18H21ClN2O.C16H21ClN2O.2C15H19ClN2O.C14H11ClN2O.C14H17ClN2O.C13H15ClN2O/c19-14-4-13-9-20-21-16(13)15(5-14)17(22)18-6-10-1-11(7-18)3-12(2-10)8-18;17-13-8-12-10-18-19-16(12)14(9-13)15(20)7-6-11-4-2-1-3-5-11;1-15(5-3-2-4-6-15)14(19)12-8-11(16)7-10-9-17-18-13(10)12;16-12-7-11-9-17-18-15(11)13(8-12)14(19)6-10-4-2-1-3-5-10;15-11-4-10-7-17-8-13(10)12(5-11)14(18)9-2-1-3-16-6-9;15-12-7-6-10(13-11(12)8-16-17-13)14(18)9-4-2-1-3-5-9;14-10-5-9-7-15-16-12(9)11(6-10)13(17)8-3-1-2-4-8/h4-5,9-12,17,22H,1-3,6-8H2,(H,20,21);8-11,15,20H,1-7H2,(H,18,19);7-9,14,19H,2-6H2,1H3,(H,17,18);7-10,14,19H,1-6H2,(H,17,18);1-7,14,18H,8H2;6-9,14,18H,1-5H2,(H,16,17);5-8,13,17H,1-4H2,(H,15,16)
InChIKeyAXFQQWVZTGOKAF-UHFFFAOYSA-N
XLogP27.54
TPSA338.94 Ų
H-Bond Donors13
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001941.40
LogP ≤ 527.54
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

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
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
6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;8-(6-chloro-1H-indazol-4-yl)-2,8-diazaspiro[4.5]decan-3-one;1-(6-chloro-1H-indazol-4-yl)-2-phenylethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]acetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 158678354
2-[1-(1-anilinoethenyl)piperidin-4-yl]-1-(5-chloro-1H-indazol-7-yl)-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-[1-[1-(cyclopentylamino)ethenyl]piperidin-4-yl]-2-methylpropan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]propan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-(1-methylpiperidin-4-yl)propan-1-ol;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[1-[1-(propan-2-ylamino)ethenyl]piperidin-4-yl]propan-1-ol
CID 159996742
(4-chloro-1H-indazol-7-yl)-cyclohexylmethanol;(5-chloro-1H-indazol-7-yl)-cyclopentylmethanol;(5-chloro-1H-indazol-7-yl)-(1-fluorocyclohexyl)methanol;(6-chloro-3H-inden-4-yl)-cyclohexylmethanol;(6-chloro-3H-inden-4-yl)-pyridin-3-ylmethanol
CID 161190472
N-tert-butyl-4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-propylpiperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 161729887

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C(O)c2cc(Cl)cc3cn[nH]c23)CCCCC1.OC(CC1CCCCC1)c1cc(Cl)cc2cn[nH]c12.OC(CCC1CCCCC1)c1cc(Cl)cc2cn[nH]c12.OC(c1cc(Cl)cc2cn[nH]c12)C12CC3CC(CC(C3)C1)C2.OC(c1cc(Cl)cc2cn[nH]c12)C1CCCC1.OC(c1ccc(Cl)c2cn[nH]c12)C1CCCCC1.OC(c1cccnc1)c1cc(Cl)cc2c1CN=C2.
What is the InChIKey of 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?
The InChIKey is AXFQQWVZTGOKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O.C16H21ClN2O.2C15H19ClN2O.C14H11ClN2O.C14H17ClN2O.C13H15ClN2O/c19-14-4-13-9-20-21-16(13)15(5-14)17(22)18-6-10-1-11(7-18)3-12(2-10)8-18;17-13-8-12-10-18-19-16(12)14(9-13)15(20)7-6-11-4-2-1-3-5-11;1-15(5-3-2-4-6-15)14(19)12-8-11(16)7-10-9-17-18-13(10)12;16-12-7-11-9-17-18-15(11)13(8-12)14(19)6-10-4-2-1-3-5-10;15-11-4-10-7-17-8-13(10)12(5-11)14(18)9-2-1-3-16-6-9;15-12-7-6-10(13-11(12)8-16-17-13)14(18)9-4-2-1-3-5-9;14-10-5-9-7-15-16-12(9)11(6-10)13(17)8-3-1-2-4-8/h4-5,9-12,17,22H,1-3,6-8H2,(H,20,21);8-11,15,20H,1-7H2,(H,18,19);7-9,14,19H,2-6H2,1H3,(H,17,18);7-10,14,19H,1-6H2,(H,17,18);1-7,14,18H,8H2;6-9,14,18H,1-5H2,(H,16,17);5-8,13,17H,1-4H2,(H,15,16).
What are the key properties of 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?
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 has a molecular weight of 1941.40 g/mol, XLogP of 27.54, 17 rotatable bonds, 13 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157258961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).