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

C82H100Cl6F4N10O6 — CID 159804418

IUPAC1-(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
SMILESCC(=O)C1CCC(C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCCCC1)C(O)c1c(Cl)c(Cl)cc2cn[nH]c12.CC(C)(C1CCCCC1)C(O)c1cc(Cl)c(F)c2cn[nH]c12.OC(c1cc(Cl)c(F)c2cn[nH]c12)C(F)(F)C1CCCCC1.OC(c1cc(Cl)cc2cn[nH]c12)C1(C2CCCCC2)CC1
InChIInChI=1S/C17H22Cl2N2O.C17H22ClFN2O.C17H21ClN2O.C16H19ClN2O2.C15H16ClF3N2O/c1-17(2,11-6-4-3-5-7-11)16(22)13-14(19)12(18)8-10-9-20-21-15(10)13;1-17(2,10-6-4-3-5-7-10)16(22)11-8-13(18)14(19)12-9-20-21-15(11)12;18-13-8-11-10-19-20-15(11)14(9-13)16(21)17(6-7-17)12-4-2-1-3-5-12;1-9(20)10-2-4-11(5-3-10)16(21)14-7-13(17)6-12-8-18-19-15(12)14;16-11-6-9(13-10(12(11)17)7-20-21-13)14(22)15(18,19)8-4-2-1-3-5-8/h8-9,11,16,22H,3-7H2,1-2H3,(H,20,21);8-10,16,22H,3-7H2,1-2H3,(H,20,21);8-10,12,16,21H,1-7H2,(H,19,20);6-8,10-11,16,21H,2-5H2,1H3,(H,18,19);6-8,14,22H,1-5H2,(H,20,21)
InChIKeyNKEZHSUADUAVNP-UHFFFAOYSA-N
MW1610.48 g/mol
LogP23.36
Rot. Bonds15

About 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

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 (PubChem CID 159804418) has the molecular formula C82H100Cl6F4N10O6 and a molecular weight of 1610.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159804418
Molecular FormulaC82H100Cl6F4N10O6
Molecular Weight1610.48 g/mol
Exact Mass1606.59
IUPAC Name1-(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
SMILESCC(=O)C1CCC(C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCCCC1)C(O)c1c(Cl)c(Cl)cc2cn[nH]c12.CC(C)(C1CCCCC1)C(O)c1cc(Cl)c(F)c2cn[nH]c12.OC(c1cc(Cl)c(F)c2cn[nH]c12)C(F)(F)C1CCCCC1.OC(c1cc(Cl)cc2cn[nH]c12)C1(C2CCCCC2)CC1
InChIInChI=1S/C17H22Cl2N2O.C17H22ClFN2O.C17H21ClN2O.C16H19ClN2O2.C15H16ClF3N2O/c1-17(2,11-6-4-3-5-7-11)16(22)13-14(19)12(18)8-10-9-20-21-15(10)13;1-17(2,10-6-4-3-5-7-10)16(22)11-8-13(18)14(19)12-9-20-21-15(11)12;18-13-8-11-10-19-20-15(11)14(9-13)16(21)17(6-7-17)12-4-2-1-3-5-12;1-9(20)10-2-4-11(5-3-10)16(21)14-7-13(17)6-12-8-18-19-15(12)14;16-11-6-9(13-10(12(11)17)7-20-21-13)14(22)15(18,19)8-4-2-1-3-5-8/h8-9,11,16,22H,3-7H2,1-2H3,(H,20,21);8-10,16,22H,3-7H2,1-2H3,(H,20,21);8-10,12,16,21H,1-7H2,(H,19,20);6-8,10-11,16,21H,2-5H2,1H3,(H,18,19);6-8,14,22H,1-5H2,(H,20,21)
InChIKeyNKEZHSUADUAVNP-UHFFFAOYSA-N
XLogP23.36
TPSA261.62 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms108
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001610.48
LogP ≤ 523.36
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C1CCC(C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCCCC1)C(O)c1c(Cl)c(Cl)cc2cn[nH]c12.CC(C)(C1CCCCC1)C(O)c1cc(Cl)c(F)c2cn[nH]c12.OC(c1cc(Cl)c(F)c2cn[nH]c12)C(F)(F)C1CCCCC1.OC(c1cc(Cl)cc2cn[nH]c12)C1(C2CCCCC2)CC1.
What is the InChIKey of 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?
The InChIKey is NKEZHSUADUAVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O.C17H22ClFN2O.C17H21ClN2O.C16H19ClN2O2.C15H16ClF3N2O/c1-17(2,11-6-4-3-5-7-11)16(22)13-14(19)12(18)8-10-9-20-21-15(10)13;1-17(2,10-6-4-3-5-7-10)16(22)11-8-13(18)14(19)12-9-20-21-15(11)12;18-13-8-11-10-19-20-15(11)14(9-13)16(21)17(6-7-17)12-4-2-1-3-5-12;1-9(20)10-2-4-11(5-3-10)16(21)14-7-13(17)6-12-8-18-19-15(12)14;16-11-6-9(13-10(12(11)17)7-20-21-13)14(22)15(18,19)8-4-2-1-3-5-8/h8-9,11,16,22H,3-7H2,1-2H3,(H,20,21);8-10,16,22H,3-7H2,1-2H3,(H,20,21);8-10,12,16,21H,1-7H2,(H,19,20);6-8,10-11,16,21H,2-5H2,1H3,(H,18,19);6-8,14,22H,1-5H2,(H,20,21).
What are the key properties of 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?
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 has a molecular weight of 1610.48 g/mol, XLogP of 23.36, 15 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159804418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).