4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
C138H129F6N33O11 — CID 159004653
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2nc3c(-c4cccc(OC(F)(F)F)c4)cccn3n2)cc1.COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4)nc23)cc1.COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nc23)cc1.Cc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nc23)c1.Cc1cccc(-c2cccn3nc(Nc4ccc(C(N)=O)cc4)nc23)c1.NC(=O)c1ccc(Nc2nc3c(-c4cccc(OC(F)(F)F)c4)cccn3n2)cc1
InChIInChI=1S/2C26H28N6O2.C25H26N6O2.C21H16F3N5O2.C20H14F3N5O2.C20H17N5O/c1-31-16-13-21(14-17-31)27-25(33)19-5-9-20(10-6-19)28-26-29-24-23(4-3-15-32(24)30-26)18-7-11-22(34-2)12-8-18;1-19-4-2-5-21(18-19)23-6-3-12-32-24(23)29-26(30-32)28-22-9-7-20(8-10-22)25(33)27-11-13-31-14-16-34-17-15-31;1-33-21-10-6-17(7-11-21)22-3-2-16-31-23(22)29-25(30-31)28-19-8-4-18(5-9-19)24(32)27-20-12-14-26-15-13-20;1-25-19(30)13-7-9-15(10-8-13)26-20-27-18-17(6-3-11-29(18)28-20)14-4-2-5-16(12-14)31-21(22,23)24;21-20(22,23)30-15-4-1-3-13(11-15)16-5-2-10-28-18(16)26-19(27-28)25-14-8-6-12(7-9-14)17(24)29;1-13-4-2-5-15(12-13)17-6-3-11-25-19(17)23-20(24-25)22-16-9-7-14(8-10-16)18(21)26/h3-12,15,21H,13-14,16-17H2,1-2H3,(H,27,33)(H,28,30);2-10,12,18H,11,13-17H2,1H3,(H,27,33)(H,28,30);2-11,16,20,26H,12-15H2,1H3,(H,27,32)(H,28,30);2-12H,1H3,(H,25,30)(H,26,28);1-11H,(H2,24,29)(H,25,27);2-12H,1H3,(H2,21,26)(H,22,24)
InChIKeyJRTPYFPRXRDODM-UHFFFAOYSA-N
MW2539.76 g/mol
LogP23.20
Rot. Bonds33
About 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 159004653) has the molecular formula C138H129F6N33O11 and a molecular weight of 2539.76 g/mol. Its IUPAC name is 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
Molecular Properties
| Compound Name | 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide |
|---|---|
| PubChem CID | 159004653 |
| Molecular Formula | C138H129F6N33O11 |
| Molecular Weight | 2539.76 g/mol |
| Exact Mass | 2538.05 |
| IUPAC Name | 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide |
| SMILES | CNC(=O)c1ccc(Nc2nc3c(-c4cccc(OC(F)(F)F)c4)cccn3n2)cc1.COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4)nc23)cc1.COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nc23)cc1.Cc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nc23)c1.Cc1cccc(-c2cccn3nc(Nc4ccc(C(N)=O)cc4)nc23)c1.NC(=O)c1ccc(Nc2nc3c(-c4cccc(OC(F)(F)F)c4)cccn3n2)cc1 |
| InChI | InChI=1S/2C26H28N6O2.C25H26N6O2.C21H16F3N5O2.C20H14F3N5O2.C20H17N5O/c1-31-16-13-21(14-17-31)27-25(33)19-5-9-20(10-6-19)28-26-29-24-23(4-3-15-32(24)30-26)18-7-11-22(34-2)12-8-18;1-19-4-2-5-21(18-19)23-6-3-12-32-24(23)29-26(30-32)28-22-9-7-20(8-10-22)25(33)27-11-13-31-14-16-34-17-15-31;1-33-21-10-6-17(7-11-21)22-3-2-16-31-23(22)29-25(30-31)28-19-8-4-18(5-9-19)24(32)27-20-12-14-26-15-13-20;1-25-19(30)13-7-9-15(10-8-13)26-20-27-18-17(6-3-11-29(18)28-20)14-4-2-5-16(12-14)31-21(22,23)24;21-20(22,23)30-15-4-1-3-13(11-15)16-5-2-10-28-18(16)26-19(27-28)25-14-8-6-12(7-9-14)17(24)29;1-13-4-2-5-15(12-13)17-6-3-11-25-19(17)23-20(24-25)22-16-9-7-14(8-10-16)18(21)26/h3-12,15,21H,13-14,16-17H2,1-2H3,(H,27,33)(H,28,30);2-10,12,18H,11,13-17H2,1H3,(H,27,33)(H,28,30);2-11,16,20,26H,12-15H2,1H3,(H,27,32)(H,28,30);2-12H,1H3,(H,25,30)(H,26,28);1-11H,(H2,24,29)(H,25,27);2-12H,1H3,(H2,21,26)(H,22,24) |
| InChIKey | JRTPYFPRXRDODM-UHFFFAOYSA-N |
| XLogP | 23.20 |
| TPSA | 520.56 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 188 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2539.76 |
| LogP ≤ 5 | 23.20 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 38 |
Frequently Asked Questions
What is the IUPAC name of 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 159004653) is 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is CNC(=O)c1ccc(Nc2nc3c(-c4cccc(OC(F)(F)F)c4)cccn3n2)cc1.COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4)nc23)cc1.COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nc23)cc1.Cc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nc23)c1.Cc1cccc(-c2cccn3nc(Nc4ccc(C(N)=O)cc4)nc23)c1.NC(=O)c1ccc(Nc2nc3c(-c4cccc(OC(F)(F)F)c4)cccn3n2)cc1.
What is the InChIKey of 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is JRTPYFPRXRDODM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H28N6O2.C25H26N6O2.C21H16F3N5O2.C20H14F3N5O2.C20H17N5O/c1-31-16-13-21(14-17-31)27-25(33)19-5-9-20(10-6-19)28-26-29-24-23(4-3-15-32(24)30-26)18-7-11-22(34-2)12-8-18;1-19-4-2-5-21(18-19)23-6-3-12-32-24(23)29-26(30-32)28-22-9-7-20(8-10-22)25(33)27-11-13-31-14-16-34-17-15-31;1-33-21-10-6-17(7-11-21)22-3-2-16-31-23(22)29-25(30-31)28-19-8-4-18(5-9-19)24(32)27-20-12-14-26-15-13-20;1-25-19(30)13-7-9-15(10-8-13)26-20-27-18-17(6-3-11-29(18)28-20)14-4-2-5-16(12-14)31-21(22,23)24;21-20(22,23)30-15-4-1-3-13(11-15)16-5-2-10-28-18(16)26-19(27-28)25-14-8-6-12(7-9-14)17(24)29;1-13-4-2-5-15(12-13)17-6-3-11-25-19(17)23-20(24-25)22-16-9-7-14(8-10-16)18(21)26/h3-12,15,21H,13-14,16-17H2,1-2H3,(H,27,33)(H,28,30);2-10,12,18H,11,13-17H2,1H3,(H,27,33)(H,28,30);2-11,16,20,26H,12-15H2,1H3,(H,27,32)(H,28,30);2-12H,1H3,(H,25,30)(H,26,28);1-11H,(H2,24,29)(H,25,27);2-12H,1H3,(H2,21,26)(H,22,24).
What are the key properties of 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 2539.76 g/mol, XLogP of 23.20, 33 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 159004653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159004653 — identifiers, structure, computed properties (public domain)
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