(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

C72H79Cl5FN7O5 — CID 161190472

IUPAC(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
SMILESOC(c1cc(Cl)cc2c1CC=C2)C1CCCCC1.OC(c1cc(Cl)cc2cn[nH]c12)C1(F)CCCCC1.OC(c1cc(Cl)cc2cn[nH]c12)C1CCCC1.OC(c1ccc(Cl)c2cn[nH]c12)C1CCCCC1.OC(c1cccnc1)c1cc(Cl)cc2c1CC=C2
InChIInChI=1S/C16H19ClO.C15H12ClNO.C14H16ClFN2O.C14H17ClN2O.C13H15ClN2O/c17-13-9-12-7-4-8-14(12)15(10-13)16(18)11-5-2-1-3-6-11;16-12-7-10-3-1-5-13(10)14(8-12)15(18)11-4-2-6-17-9-11;15-10-6-9-8-17-18-12(9)11(7-10)13(19)14(16)4-2-1-3-5-14;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/h4,7,9-11,16,18H,1-3,5-6,8H2;1-4,6-9,15,18H,5H2;6-8,13,19H,1-5H2,(H,17,18);6-9,14,18H,1-5H2,(H,16,17);5-8,13,17H,1-4H2,(H,15,16)
InChIKeyUTQOCLCPXYZQCR-UHFFFAOYSA-N
MW1318.73 g/mol
LogP19.10
Rot. Bonds10

About (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

(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 (PubChem CID 161190472) has the molecular formula C72H79Cl5FN7O5 and a molecular weight of 1318.73 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID161190472
Molecular FormulaC72H79Cl5FN7O5
Molecular Weight1318.73 g/mol
Exact Mass1315.46
IUPAC Name(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
SMILESOC(c1cc(Cl)cc2c1CC=C2)C1CCCCC1.OC(c1cc(Cl)cc2cn[nH]c12)C1(F)CCCCC1.OC(c1cc(Cl)cc2cn[nH]c12)C1CCCC1.OC(c1ccc(Cl)c2cn[nH]c12)C1CCCCC1.OC(c1cccnc1)c1cc(Cl)cc2c1CC=C2
InChIInChI=1S/C16H19ClO.C15H12ClNO.C14H16ClFN2O.C14H17ClN2O.C13H15ClN2O/c17-13-9-12-7-4-8-14(12)15(10-13)16(18)11-5-2-1-3-6-11;16-12-7-10-3-1-5-13(10)14(8-12)15(18)11-4-2-6-17-9-11;15-10-6-9-8-17-18-12(9)11(7-10)13(19)14(16)4-2-1-3-5-14;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/h4,7,9-11,16,18H,1-3,5-6,8H2;1-4,6-9,15,18H,5H2;6-8,13,19H,1-5H2,(H,17,18);6-9,14,18H,1-5H2,(H,16,17);5-8,13,17H,1-4H2,(H,15,16)
InChIKeyUTQOCLCPXYZQCR-UHFFFAOYSA-N
XLogP19.10
TPSA200.08 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001318.73
LogP ≤ 519.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Analyze (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 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;(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is OC(c1cc(Cl)cc2c1CC=C2)C1CCCCC1.OC(c1cc(Cl)cc2cn[nH]c12)C1(F)CCCCC1.OC(c1cc(Cl)cc2cn[nH]c12)C1CCCC1.OC(c1ccc(Cl)c2cn[nH]c12)C1CCCCC1.OC(c1cccnc1)c1cc(Cl)cc2c1CC=C2.
What is the InChIKey of (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?
The InChIKey is UTQOCLCPXYZQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO.C15H12ClNO.C14H16ClFN2O.C14H17ClN2O.C13H15ClN2O/c17-13-9-12-7-4-8-14(12)15(10-13)16(18)11-5-2-1-3-6-11;16-12-7-10-3-1-5-13(10)14(8-12)15(18)11-4-2-6-17-9-11;15-10-6-9-8-17-18-12(9)11(7-10)13(19)14(16)4-2-1-3-5-14;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/h4,7,9-11,16,18H,1-3,5-6,8H2;1-4,6-9,15,18H,5H2;6-8,13,19H,1-5H2,(H,17,18);6-9,14,18H,1-5H2,(H,16,17);5-8,13,17H,1-4H2,(H,15,16).
What are the key properties of (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?
(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 has a molecular weight of 1318.73 g/mol, XLogP of 19.10, 10 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 161190472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).