cyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol

C59H58F7N15O4 — CID 159156357

IUPACcyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol
SMILESCn1nnc2c(C#N)nc(-c3ccc(O)c(C(F)(F)F)c3)cc21.Cn1nnc2c(C#N)nc(-c3ccc(OC4CCN(c5ccccn5)CC4)c(C(F)(F)F)c3)cc21.Fc1ccccn1.OC1CCCCC1.OC1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H20F3N7O.C14H8F3N5O.C10H14N2O.C6H12O.C5H4FN/c1-33-20-13-18(30-19(14-28)23(20)31-32-33)15-5-6-21(17(12-15)24(25,26)27)35-16-7-10-34(11-8-16)22-4-2-3-9-29-22;1-22-11-5-9(19-10(6-18)13(11)20-21-22)7-2-3-12(23)8(4-7)14(15,16)17;13-9-4-7-12(8-5-9)10-3-1-2-6-11-10;7-6-4-2-1-3-5-6;6-5-3-1-2-4-7-5/h2-6,9,12-13,16H,7-8,10-11H2,1H3;2-5,23H,1H3;1-3,6,9,13H,4-5,7-8H2;6-7H,1-5H2;1-4H
InChIKeyKJYBNJXRGVNVNQ-UHFFFAOYSA-N
MW1174.20 g/mol
LogP10.56
Rot. Bonds6

About cyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol

cyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol (PubChem CID 159156357) has the molecular formula C59H58F7N15O4 and a molecular weight of 1174.20 g/mol. Its IUPAC name is cyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol.

Molecular Properties

Compound Namecyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol
PubChem CID159156357
Molecular FormulaC59H58F7N15O4
Molecular Weight1174.20 g/mol
Exact Mass1173.47
IUPAC Namecyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol
SMILESCn1nnc2c(C#N)nc(-c3ccc(O)c(C(F)(F)F)c3)cc21.Cn1nnc2c(C#N)nc(-c3ccc(OC4CCN(c5ccccn5)CC4)c(C(F)(F)F)c3)cc21.Fc1ccccn1.OC1CCCCC1.OC1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H20F3N7O.C14H8F3N5O.C10H14N2O.C6H12O.C5H4FN/c1-33-20-13-18(30-19(14-28)23(20)31-32-33)15-5-6-21(17(12-15)24(25,26)27)35-16-7-10-34(11-8-16)22-4-2-3-9-29-22;1-22-11-5-9(19-10(6-18)13(11)20-21-22)7-2-3-12(23)8(4-7)14(15,16)17;13-9-4-7-12(8-5-9)10-3-1-2-6-11-10;7-6-4-2-1-3-5-6;6-5-3-1-2-4-7-5/h2-6,9,12-13,16H,7-8,10-11H2,1H3;2-5,23H,1H3;1-3,6,9,13H,4-5,7-8H2;6-7H,1-5H2;1-4H
InChIKeyKJYBNJXRGVNVNQ-UHFFFAOYSA-N
XLogP10.56
TPSA249.85 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds6
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001174.20
LogP ≤ 510.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze cyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol with MolForge

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Related Compounds

US9115126, Example 4b
CID 53329868
US10144734, Example 767
CID 134436384
US11168090, Example 58
CID 135241897
US11168090, Example 56
CID 135252414
US11168090, Example 52
CID 146371982
US11168090, Example 55
CID 146371994
1-Methyl-6-[4-[2-(1-pyridin-2-ylpiperidin-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
CID 46842745
1-Methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;hydrochloride
CID 53328435
1-Methyl-6-[4-[2-(1-pyridin-2-ylazetidin-3-yl)ethoxy]-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
CID 53328436
1-methyl-6-(4-(2-(1-(pyridin-2-yl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile
CID 53329699
6-[4-[2-[1-(3-Cyanopyridin-2-yl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile
CID 53329869
1-Methyl-6-[3-(trifluoromethyl)-4-[3-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propoxy]phenyl]triazolo[4,5-c]pyridine-4-carbonitrile
CID 53330557

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol?
The IUPAC name of cyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol (CID 159156357) is cyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol.
What is the SMILES notation for cyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol?
The canonical SMILES for cyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol is Cn1nnc2c(C#N)nc(-c3ccc(O)c(C(F)(F)F)c3)cc21.Cn1nnc2c(C#N)nc(-c3ccc(OC4CCN(c5ccccn5)CC4)c(C(F)(F)F)c3)cc21.Fc1ccccn1.OC1CCCCC1.OC1CCN(c2ccccn2)CC1.
What is the InChIKey of cyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol?
The InChIKey is KJYBNJXRGVNVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O.C14H8F3N5O.C10H14N2O.C6H12O.C5H4FN/c1-33-20-13-18(30-19(14-28)23(20)31-32-33)15-5-6-21(17(12-15)24(25,26)27)35-16-7-10-34(11-8-16)22-4-2-3-9-29-22;1-22-11-5-9(19-10(6-18)13(11)20-21-22)7-2-3-12(23)8(4-7)14(15,16)17;13-9-4-7-12(8-5-9)10-3-1-2-6-11-10;7-6-4-2-1-3-5-6;6-5-3-1-2-4-7-5/h2-6,9,12-13,16H,7-8,10-11H2,1H3;2-5,23H,1H3;1-3,6,9,13H,4-5,7-8H2;6-7H,1-5H2;1-4H.
What are the key properties of cyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol?
cyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol has a molecular weight of 1174.20 g/mol, XLogP of 10.56, 6 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;2-fluoropyridine;6-[4-hydroxy-3-(trifluoromethyl)phenyl]-1-methyltriazolo[4,5-c]pyridine-4-carbonitrile;1-methyl-6-[4-(1-pyridin-2-ylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]triazolo[4,5-c]pyridine-4-carbonitrile;1-pyridin-2-ylpiperidin-4-ol is sourced from PubChem (CID 159156357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).