N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C112H104ClF4N25O4 — CID 161391418

IUPACN,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCc1ccc(-c2cccn3nc(Nc4ccc(C(=O)N(C)C)cc4)nc23)cc1.Cc1cccc(-c2cccn3nc(Nc4ccc(F)cc4)nc23)c1.Cc1cccc(Nc2nc3c(-c4cccc(C)c4)cccn3n2)c1.O=C(NC1CCCCC1)c1ccc(Nc2nc3c(-c4ccc(Cl)cc4)cccn3n2)cc1.O=C(NCCN1CCNCC1)c1ccc(Nc2nc3c(-c4cccc(OC(F)(F)F)c4)cccn3n2)cc1
InChIInChI=1S/C26H26F3N7O2.C25H24ClN5O.C22H21N5O.C20H18N4.C19H15FN4/c27-26(28,29)38-21-4-1-3-19(17-21)22-5-2-13-36-23(22)33-25(34-36)32-20-8-6-18(7-9-20)24(37)31-12-16-35-14-10-30-11-15-35;26-19-12-8-17(9-13-19)22-7-4-16-31-23(22)29-25(30-31)28-21-14-10-18(11-15-21)24(32)27-20-5-2-1-3-6-20;1-15-6-8-16(9-7-15)19-5-4-14-27-20(19)24-22(25-27)23-18-12-10-17(11-13-18)21(28)26(2)3;1-14-6-3-8-16(12-14)18-10-5-11-24-19(18)22-20(23-24)21-17-9-4-7-15(2)13-17;1-13-4-2-5-14(12-13)17-6-3-11-24-18(17)22-19(23-24)21-16-9-7-15(20)8-10-16/h1-9,13,17,30H,10-12,14-16H2,(H,31,37)(H,32,34);4,7-16,20H,1-3,5-6H2,(H,27,32)(H,28,30);4-14H,1-3H3,(H,23,25);3-13H,1-2H3,(H,21,23);2-12H,1H3,(H,21,23)
InChIKeyVTAPLOQZIVPTNC-UHFFFAOYSA-N
MW1975.68 g/mol
LogP23.02
Rot. Bonds23

About N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 161391418) has the molecular formula C112H104ClF4N25O4 and a molecular weight of 1975.68 g/mol. Its IUPAC name is N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID161391418
Molecular FormulaC112H104ClF4N25O4
Molecular Weight1975.68 g/mol
Exact Mass1973.83
IUPAC NameN,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCc1ccc(-c2cccn3nc(Nc4ccc(C(=O)N(C)C)cc4)nc23)cc1.Cc1cccc(-c2cccn3nc(Nc4ccc(F)cc4)nc23)c1.Cc1cccc(Nc2nc3c(-c4cccc(C)c4)cccn3n2)c1.O=C(NC1CCCCC1)c1ccc(Nc2nc3c(-c4ccc(Cl)cc4)cccn3n2)cc1.O=C(NCCN1CCNCC1)c1ccc(Nc2nc3c(-c4cccc(OC(F)(F)F)c4)cccn3n2)cc1
InChIInChI=1S/C26H26F3N7O2.C25H24ClN5O.C22H21N5O.C20H18N4.C19H15FN4/c27-26(28,29)38-21-4-1-3-19(17-21)22-5-2-13-36-23(22)33-25(34-36)32-20-8-6-18(7-9-20)24(37)31-12-16-35-14-10-30-11-15-35;26-19-12-8-17(9-13-19)22-7-4-16-31-23(22)29-25(30-31)28-21-14-10-18(11-15-21)24(32)27-20-5-2-1-3-6-20;1-15-6-8-16(9-7-15)19-5-4-14-27-20(19)24-22(25-27)23-18-12-10-17(11-13-18)21(28)26(2)3;1-14-6-3-8-16(12-14)18-10-5-11-24-19(18)22-20(23-24)21-17-9-4-7-15(2)13-17;1-13-4-2-5-14(12-13)17-6-3-11-24-18(17)22-19(23-24)21-16-9-7-15(20)8-10-16/h1-9,13,17,30H,10-12,14-16H2,(H,31,37)(H,32,34);4,7-16,20H,1-3,5-6H2,(H,27,32)(H,28,30);4-14H,1-3H3,(H,23,25);3-13H,1-2H3,(H,21,23);2-12H,1H3,(H,21,23)
InChIKeyVTAPLOQZIVPTNC-UHFFFAOYSA-N
XLogP23.02
TPSA314.11 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001975.68
LogP ≤ 523.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 161391418) is N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)N(C)C)cc4)nc23)cc1.Cc1cccc(-c2cccn3nc(Nc4ccc(F)cc4)nc23)c1.Cc1cccc(Nc2nc3c(-c4cccc(C)c4)cccn3n2)c1.O=C(NC1CCCCC1)c1ccc(Nc2nc3c(-c4ccc(Cl)cc4)cccn3n2)cc1.O=C(NCCN1CCNCC1)c1ccc(Nc2nc3c(-c4cccc(OC(F)(F)F)c4)cccn3n2)cc1.
What is the InChIKey of N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is VTAPLOQZIVPTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O2.C25H24ClN5O.C22H21N5O.C20H18N4.C19H15FN4/c27-26(28,29)38-21-4-1-3-19(17-21)22-5-2-13-36-23(22)33-25(34-36)32-20-8-6-18(7-9-20)24(37)31-12-16-35-14-10-30-11-15-35;26-19-12-8-17(9-13-19)22-7-4-16-31-23(22)29-25(30-31)28-21-14-10-18(11-15-21)24(32)27-20-5-2-1-3-6-20;1-15-6-8-16(9-7-15)19-5-4-14-27-20(19)24-22(25-27)23-18-12-10-17(11-13-18)21(28)26(2)3;1-14-6-3-8-16(12-14)18-10-5-11-24-19(18)22-20(23-24)21-17-9-4-7-15(2)13-17;1-13-4-2-5-14(12-13)17-6-3-11-24-18(17)22-19(23-24)21-16-9-7-15(20)8-10-16/h1-9,13,17,30H,10-12,14-16H2,(H,31,37)(H,32,34);4,7-16,20H,1-3,5-6H2,(H,27,32)(H,28,30);4-14H,1-3H3,(H,23,25);3-13H,1-2H3,(H,21,23);2-12H,1H3,(H,21,23).
What are the key properties of N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 1975.68 g/mol, XLogP of 23.02, 23 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-bis(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N,N-dimethyl-4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(4-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 161391418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).