8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C160H174ClF19N30O — CID 161391467

IUPAC8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(c2ccc(F)cc2)CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1.Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.Cc1c(N2CCC3(CC2)OC(C)(C)c2cc(F)ccc23)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCC(F)(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1.Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3Cl)CC2)c(F)c1
InChIInChI=1S/C25H29FN4O.C24H26F4N4.C23H24F4N4.C23H25F3N4.C22H22F5N5.C22H26N4.C21H22ClF2N5/c1-16-21(8-11-30-22(14-17-4-5-17)27-28-23(16)30)29-12-9-25(10-13-29)19-7-6-18(26)15-20(19)24(2,3)31-25;1-23(18-4-6-19(25)7-5-18)9-12-31(13-10-23)15-17-8-11-32-20(14-16-2-3-16)29-30-22(32)21(17)24(26,27)28;24-22(18-4-2-1-3-5-18)9-12-30(13-10-22)15-17-8-11-31-19(14-16-6-7-16)28-29-21(31)20(17)23(25,26)27;24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17;23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27;1-16-20(11-14-26-21(15-17-7-8-17)23-24-22(16)26)25-12-9-19(10-13-25)18-5-3-2-4-6-18;22-20-15(5-6-29-19(11-14-1-2-14)25-26-21(20)29)13-27-7-9-28(10-8-27)18-4-3-16(23)12-17(18)24/h6-8,11,15,17H,4-5,9-10,12-14H2,1-3H3;4-8,11,16H,2-3,9-10,12-15H2,1H3;1-5,8,11,16H,6-7,9-10,12-15H2;1-5,10,13,16,18H,6-9,11-12,14-15H2;3-6,12,14H,1-2,7-11,13H2;2-6,11,14,17,19H,7-10,12-13,15H2,1H3;3-6,12,14H,1-2,7-11,13H2
InChIKeyVTASWTPLLXCPAF-UHFFFAOYSA-N
MW2929.78 g/mol
LogP33.14
Rot. Bonds32

About 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 161391467) has the molecular formula C160H174ClF19N30O and a molecular weight of 2929.78 g/mol. Its IUPAC name is 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID161391467
Molecular FormulaC160H174ClF19N30O
Molecular Weight2929.78 g/mol
Exact Mass2927.39
IUPAC Name8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(c2ccc(F)cc2)CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1.Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.Cc1c(N2CCC3(CC2)OC(C)(C)c2cc(F)ccc23)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCC(F)(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1.Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3Cl)CC2)c(F)c1
InChIInChI=1S/C25H29FN4O.C24H26F4N4.C23H24F4N4.C23H25F3N4.C22H22F5N5.C22H26N4.C21H22ClF2N5/c1-16-21(8-11-30-22(14-17-4-5-17)27-28-23(16)30)29-12-9-25(10-13-29)19-7-6-18(26)15-20(19)24(2,3)31-25;1-23(18-4-6-19(25)7-5-18)9-12-31(13-10-23)15-17-8-11-32-20(14-16-2-3-16)29-30-22(32)21(17)24(26,27)28;24-22(18-4-2-1-3-5-18)9-12-30(13-10-22)15-17-8-11-31-19(14-16-6-7-16)28-29-21(31)20(17)23(25,26)27;24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17;23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27;1-16-20(11-14-26-21(15-17-7-8-17)23-24-22(16)26)25-12-9-19(10-13-25)18-5-3-2-4-6-18;22-20-15(5-6-29-19(11-14-1-2-14)25-26-21(20)29)13-27-7-9-28(10-8-27)18-4-3-16(23)12-17(18)24/h6-8,11,15,17H,4-5,9-10,12-14H2,1-3H3;4-8,11,16H,2-3,9-10,12-15H2,1H3;1-5,8,11,16H,6-7,9-10,12-15H2;1-5,10,13,16,18H,6-9,11-12,14-15H2;3-6,12,14H,1-2,7-11,13H2;2-6,11,14,17,19H,7-10,12-13,15H2,1H3;3-6,12,14H,1-2,7-11,13H2
InChIKeyVTASWTPLLXCPAF-UHFFFAOYSA-N
XLogP33.14
TPSA249.72 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds32
Heavy Atoms211
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002929.78
LogP ≤ 533.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 161391467) is 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is CC1(c2ccc(F)cc2)CCN(Cc2ccn3c(CC4CC4)nnc3c2C(F)(F)F)CC1.Cc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.Cc1c(N2CCC3(CC2)OC(C)(C)c2cc(F)ccc23)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCC(F)(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3C(F)(F)F)CC2)c(F)c1.Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3Cl)CC2)c(F)c1.
What is the InChIKey of 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VTASWTPLLXCPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O.C24H26F4N4.C23H24F4N4.C23H25F3N4.C22H22F5N5.C22H26N4.C21H22ClF2N5/c1-16-21(8-11-30-22(14-17-4-5-17)27-28-23(16)30)29-12-9-25(10-13-29)19-7-6-18(26)15-20(19)24(2,3)31-25;1-23(18-4-6-19(25)7-5-18)9-12-31(13-10-23)15-17-8-11-32-20(14-16-2-3-16)29-30-22(32)21(17)24(26,27)28;24-22(18-4-2-1-3-5-18)9-12-30(13-10-22)15-17-8-11-31-19(14-16-6-7-16)28-29-21(31)20(17)23(25,26)27;24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17;23-16-3-4-18(17(24)12-16)31-9-7-30(8-10-31)13-15-5-6-32-19(11-14-1-2-14)28-29-21(32)20(15)22(25,26)27;1-16-20(11-14-26-21(15-17-7-8-17)23-24-22(16)26)25-12-9-19(10-13-25)18-5-3-2-4-6-18;22-20-15(5-6-29-19(11-14-1-2-14)25-26-21(20)29)13-27-7-9-28(10-8-27)18-4-3-16(23)12-17(18)24/h6-8,11,15,17H,4-5,9-10,12-14H2,1-3H3;4-8,11,16H,2-3,9-10,12-15H2,1H3;1-5,8,11,16H,6-7,9-10,12-15H2;1-5,10,13,16,18H,6-9,11-12,14-15H2;3-6,12,14H,1-2,7-11,13H2;2-6,11,14,17,19H,7-10,12-13,15H2,1H3;3-6,12,14H,1-2,7-11,13H2.
What are the key properties of 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 2929.78 g/mol, XLogP of 33.14, 32 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[[4-(4-fluorophenyl)-4-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-8-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 161391467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).