N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole

C117H112F2N24O12S — CID 158523169

IUPACN-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole
SMILESC.C.C.C.C.CCNC(=O)c1ccc2nnc(COc3ccnc4cc(OC)ccc34)n2c1.CNc1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3c2)cc1.COc1ccc2c(OCc3nnc4c(F)cc(-c5ccccc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cc(C)ns5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(N)=O)c(F)c5)cn34)ccnc2c1
InChIInChI=1S/C24H18FN5O3.C24H21N5O2.C23H17FN4O2.C21H17N5O2S.C20H19N5O3.5CH4/c1-32-16-4-6-18-20(11-16)27-9-8-21(18)33-13-23-29-28-22-7-3-15(12-30(22)23)14-2-5-17(24(26)31)19(25)10-14;1-25-18-6-3-16(4-7-18)17-5-10-23-27-28-24(29(23)14-17)15-31-22-11-12-26-21-13-19(30-2)8-9-20(21)22;1-29-17-7-8-18-20(12-17)25-10-9-21(18)30-14-22-26-27-23-19(24)11-16(13-28(22)23)15-5-3-2-4-6-15;1-13-9-19(29-25-13)14-3-6-20-23-24-21(26(20)11-14)12-28-18-7-8-22-17-10-15(27-2)4-5-16(17)18;1-3-21-20(26)13-4-7-18-23-24-19(25(18)11-13)12-28-17-8-9-22-16-10-14(27-2)5-6-15(16)17;;;;;/h2-12H,13H2,1H3,(H2,26,31);3-14,25H,15H2,1-2H3;2-13H,14H2,1H3;3-11H,12H2,1-2H3;4-11H,3,12H2,1-2H3,(H,21,26);5*1H4
InChIKeyHMLUYDHGODGFIV-UHFFFAOYSA-N
MW2116.40 g/mol
LogP23.11
Rot. Bonds28

About N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole

N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole (PubChem CID 158523169) has the molecular formula C117H112F2N24O12S and a molecular weight of 2116.40 g/mol. Its IUPAC name is N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole.

Molecular Properties

Compound NameN-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole
PubChem CID158523169
Molecular FormulaC117H112F2N24O12S
Molecular Weight2116.40 g/mol
Exact Mass2114.86
IUPAC NameN-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole
SMILESC.C.C.C.C.CCNC(=O)c1ccc2nnc(COc3ccnc4cc(OC)ccc34)n2c1.CNc1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3c2)cc1.COc1ccc2c(OCc3nnc4c(F)cc(-c5ccccc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cc(C)ns5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(N)=O)c(F)c5)cn34)ccnc2c1
InChIInChI=1S/C24H18FN5O3.C24H21N5O2.C23H17FN4O2.C21H17N5O2S.C20H19N5O3.5CH4/c1-32-16-4-6-18-20(11-16)27-9-8-21(18)33-13-23-29-28-22-7-3-15(12-30(22)23)14-2-5-17(24(26)31)19(25)10-14;1-25-18-6-3-16(4-7-18)17-5-10-23-27-28-24(29(23)14-17)15-31-22-11-12-26-21-13-19(30-2)8-9-20(21)22;1-29-17-7-8-18-20(12-17)25-10-9-21(18)30-14-22-26-27-23-19(24)11-16(13-28(22)23)15-5-3-2-4-6-15;1-13-9-19(29-25-13)14-3-6-20-23-24-21(26(20)11-14)12-28-18-7-8-22-17-10-15(27-2)4-5-16(17)18;1-3-21-20(26)13-4-7-18-23-24-19(25(18)11-13)12-28-17-8-9-22-16-10-14(27-2)5-6-15(16)17;;;;;/h2-12H,13H2,1H3,(H2,26,31);3-14,25H,15H2,1-2H3;2-13H,14H2,1H3;3-11H,12H2,1-2H3;4-11H,3,12H2,1-2H3,(H,21,26);5*1H4
InChIKeyHMLUYDHGODGFIV-UHFFFAOYSA-N
XLogP23.11
TPSA404.81 Ų
H-Bond Donors3
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002116.40
LogP ≤ 523.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1035

Analyze N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole?
The IUPAC name of N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole (CID 158523169) is N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole.
What is the SMILES notation for N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole?
The canonical SMILES for N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole is C.C.C.C.C.CCNC(=O)c1ccc2nnc(COc3ccnc4cc(OC)ccc34)n2c1.CNc1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3c2)cc1.COc1ccc2c(OCc3nnc4c(F)cc(-c5ccccc5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cc(C)ns5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(C(N)=O)c(F)c5)cn34)ccnc2c1.
What is the InChIKey of N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole?
The InChIKey is HMLUYDHGODGFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O3.C24H21N5O2.C23H17FN4O2.C21H17N5O2S.C20H19N5O3.5CH4/c1-32-16-4-6-18-20(11-16)27-9-8-21(18)33-13-23-29-28-22-7-3-15(12-30(22)23)14-2-5-17(24(26)31)19(25)10-14;1-25-18-6-3-16(4-7-18)17-5-10-23-27-28-24(29(23)14-17)15-31-22-11-12-26-21-13-19(30-2)8-9-20(21)22;1-29-17-7-8-18-20(12-17)25-10-9-21(18)30-14-22-26-27-23-19(24)11-16(13-28(22)23)15-5-3-2-4-6-15;1-13-9-19(29-25-13)14-3-6-20-23-24-21(26(20)11-14)12-28-18-7-8-22-17-10-15(27-2)4-5-16(17)18;1-3-21-20(26)13-4-7-18-23-24-19(25(18)11-13)12-28-17-8-9-22-16-10-14(27-2)5-6-15(16)17;;;;;/h2-12H,13H2,1H3,(H2,26,31);3-14,25H,15H2,1-2H3;2-13H,14H2,1H3;3-11H,12H2,1-2H3;4-11H,3,12H2,1-2H3,(H,21,26);5*1H4.
What are the key properties of N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole?
N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole has a molecular weight of 2116.40 g/mol, XLogP of 23.11, 28 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzamide;4-[(8-fluoro-6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline;methane;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylaniline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole is sourced from PubChem (CID 158523169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).