3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine

C118H106Cl7F13N30O8 — CID 162115508

IUPAC3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine
SMILESCC(F)c1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.CCOc1ncc(Cn2cnc(CC)n2)cc1-c1cccc(Cl)c1.CCc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.CN(C)c1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.CNc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.COCc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.Cc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1
InChIInChI=1S/C18H19ClN4O.C17H14ClF3N4O.C17H16ClF2N5O.C17H15ClF2N4O2.C17H15ClF2N4O.C16H14ClF2N5O.C16H13ClF2N4O/c1-3-17-21-12-23(22-17)11-13-8-16(18(20-10-13)24-4-2)14-6-5-7-15(19)9-14;1-10(19)15-23-9-25(24-15)8-11-5-14(12-3-2-4-13(18)6-12)16(22-7-11)26-17(20)21;1-24(2)17-22-10-25(23-17)9-11-6-14(12-4-3-5-13(18)7-12)15(21-8-11)26-16(19)20;1-25-9-15-22-10-24(23-15)8-11-5-14(12-3-2-4-13(18)6-12)16(21-7-11)26-17(19)20;1-2-15-22-10-24(23-15)9-11-6-14(12-4-3-5-13(18)7-12)16(21-8-11)25-17(19)20;1-20-16-22-9-24(23-16)8-10-5-13(11-3-2-4-12(17)6-11)14(21-7-10)25-15(18)19;1-10-21-9-23(22-10)8-11-5-14(12-3-2-4-13(17)6-12)15(20-7-11)24-16(18)19/h5-10,12H,3-4,11H2,1-2H3;2-7,9-10,17H,8H2,1H3;3-8,10,16H,9H2,1-2H3;2-7,10,17H,8-9H2,1H3;3-8,10,17H,2,9H2,1H3;2-7,9,15H,8H2,1H3,(H,20,23);2-7,9,16H,8H2,1H3
InChIKeyZGSCAZVKXUTSTM-UHFFFAOYSA-N
MW2567.49 g/mol
LogP28.02
Rot. Bonds42

About 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine

3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine (PubChem CID 162115508) has the molecular formula C118H106Cl7F13N30O8 and a molecular weight of 2567.49 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine
PubChem CID162115508
Molecular FormulaC118H106Cl7F13N30O8
Molecular Weight2567.49 g/mol
Exact Mass2562.64
IUPAC Name3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine
SMILESCC(F)c1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.CCOc1ncc(Cn2cnc(CC)n2)cc1-c1cccc(Cl)c1.CCc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.CN(C)c1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.CNc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.COCc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.Cc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1
InChIInChI=1S/C18H19ClN4O.C17H14ClF3N4O.C17H16ClF2N5O.C17H15ClF2N4O2.C17H15ClF2N4O.C16H14ClF2N5O.C16H13ClF2N4O/c1-3-17-21-12-23(22-17)11-13-8-16(18(20-10-13)24-4-2)14-6-5-7-15(19)9-14;1-10(19)15-23-9-25(24-15)8-11-5-14(12-3-2-4-13(18)6-12)16(22-7-11)26-17(20)21;1-24(2)17-22-10-25(23-17)9-11-6-14(12-4-3-5-13(18)7-12)15(21-8-11)26-16(19)20;1-25-9-15-22-10-24(23-15)8-11-5-14(12-3-2-4-13(18)6-12)16(21-7-11)26-17(19)20;1-2-15-22-10-24(23-15)9-11-6-14(12-4-3-5-13(18)7-12)16(21-8-11)25-17(19)20;1-20-16-22-9-24(23-16)8-10-5-13(11-3-2-4-12(17)6-11)14(21-7-10)25-15(18)19;1-10-21-9-23(22-10)8-11-5-14(12-3-2-4-13(17)6-12)15(20-7-11)24-16(18)19/h5-10,12H,3-4,11H2,1-2H3;2-7,9-10,17H,8H2,1H3;3-8,10,16H,9H2,1-2H3;2-7,10,17H,8-9H2,1H3;3-8,10,17H,2,9H2,1H3;2-7,9,15H,8H2,1H3,(H,20,23);2-7,9,16H,8H2,1H3
InChIKeyZGSCAZVKXUTSTM-UHFFFAOYSA-N
XLogP28.02
TPSA394.31 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds42
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002567.49
LogP ≤ 528.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Analyze 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine with MolForge

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Related Compounds

3-(3-Chlorophenyl)-5-[(3-cyclopropyl-1,2,4-triazol-1-yl)methyl]-2-(difluoromethoxy)pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-ethoxy-5-[[5-(trifluoromethyl)-1,2,4-triazol-1-yl]methyl]pyridine;methyl 1-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxylate
CID 161037707
8-(6-Chloro-2-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(6-chloro-4-methyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-methyl-2-pyridinyl]morpholine;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-6-methyl-2-pyridinyl]morpholine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 161598602
(15R)-4-chloro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene;(14S)-4-chloro-7-oxa-10,16,20,21,24-pentazapentacyclo[15.5.2.12,6.010,14.020,23]pentacosa-1(23),2(25),3,5,17(24),18,21-heptaene;(15R)-4-fluoro-7-oxa-11,17,21,22,25-pentazapentacyclo[16.5.2.12,6.011,15.021,24]hexacosa-1(24),2(26),3,5,18(25),19,22-heptaene;(14S)-4-fluoro-7-oxa-10,16,20,21,24-pentazapentacyclo[15.5.2.12,6.010,14.020,23]pentacosa-1(23),2(25),3,5,17(24),18,21-heptaene;16-methyl-7-oxa-10,16,20,21,24-pentazapentacyclo[15.5.2.12,6.010,14.020,23]pentacosa-1(23),2(25),3,5,17(24),18,21-heptaene;7-oxa-10,16,20,21,24-pentazapentacyclo[15.5.2.12,6.010,14.020,23]pentacosa-1(23),2(25),3,5,17(24),18,21-heptaene
CID 157320766
5-(3-Chloro-4-fluorophenyl)-3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(2-methylpropyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2-fluoro-3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]tetrazol-5-yl]-5-pyrimidin-5-ylpyridin-2-amine
CID 158152861
3-(3-Chlorophenyl)-2-methoxy-5-[(3-methoxy-1,2,4-triazol-1-yl)methyl]pyridine;tris(3-(3-chlorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine);3-(3-ethoxyphenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-fluorophenyl)-2-methoxy-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;2-methoxy-3-(3-methoxyphenyl)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine
CID 158398062
(1S,5R)-1-(2-chloro-4-fluorophenyl)-3-[5-(ethoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-3-azabicyclo[3.1.0]hexane;1-(2-chloro-4-fluorophenyl)-3-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-3-azabicyclo[3.1.0]hexane;(1R,5S)-1-(2-chloro-4-fluorophenyl)-3-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-1-(2-chloro-4-fluorophenyl)-3-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-3-azabicyclo[3.1.0]hexane;(1S,5R)-1-(2-chloro-4-fluorophenyl)-3-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]-3-azabicyclo[3.1.0]hexane
CID 160335394

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine?
The IUPAC name of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine (CID 162115508) is 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine is CC(F)c1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.CCOc1ncc(Cn2cnc(CC)n2)cc1-c1cccc(Cl)c1.CCc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.CN(C)c1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.CNc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.COCc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.Cc1ncn(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)n1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine?
The InChIKey is ZGSCAZVKXUTSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O.C17H14ClF3N4O.C17H16ClF2N5O.C17H15ClF2N4O2.C17H15ClF2N4O.C16H14ClF2N5O.C16H13ClF2N4O/c1-3-17-21-12-23(22-17)11-13-8-16(18(20-10-13)24-4-2)14-6-5-7-15(19)9-14;1-10(19)15-23-9-25(24-15)8-11-5-14(12-3-2-4-13(18)6-12)16(22-7-11)26-17(20)21;1-24(2)17-22-10-25(23-17)9-11-6-14(12-4-3-5-13(18)7-12)15(21-8-11)26-16(19)20;1-25-9-15-22-10-24(23-15)8-11-5-14(12-3-2-4-13(18)6-12)16(21-7-11)26-17(19)20;1-2-15-22-10-24(23-15)9-11-6-14(12-4-3-5-13(18)7-12)16(21-8-11)25-17(19)20;1-20-16-22-9-24(23-16)8-10-5-13(11-3-2-4-12(17)6-11)14(21-7-10)25-15(18)19;1-10-21-9-23(22-10)8-11-5-14(12-3-2-4-13(17)6-12)15(20-7-11)24-16(18)19/h5-10,12H,3-4,11H2,1-2H3;2-7,9-10,17H,8H2,1H3;3-8,10,16H,9H2,1-2H3;2-7,10,17H,8-9H2,1H3;3-8,10,17H,2,9H2,1H3;2-7,9,15H,8H2,1H3,(H,20,23);2-7,9,16H,8H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine?
3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine has a molecular weight of 2567.49 g/mol, XLogP of 28.02, 42 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(1-fluoroethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[[3-(methoxymethyl)-1,2,4-triazol-1-yl]methyl]pyridine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-[(3-methyl-1,2,4-triazol-1-yl)methyl]pyridine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N,N-dimethyl-1,2,4-triazol-3-amine;1-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-N-methyl-1,2,4-triazol-3-amine;3-(3-chlorophenyl)-2-ethoxy-5-[(3-ethyl-1,2,4-triazol-1-yl)methyl]pyridine is sourced from PubChem (CID 162115508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).