N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide

C121H128N30O11 — CID 157362673

IUPACN-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
SMILESCOc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCC(C)(C)N)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN(C)C)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nc23)c1
InChIInChI=1S/C26H28N6O3.C25H26N6O2.2C24H26N6O2.C22H22N6O2/c1-34-22-5-2-4-20(18-22)23-6-3-12-32-24(23)29-26(30-32)28-21-9-7-19(8-10-21)25(33)27-11-13-31-14-16-35-17-15-31;1-33-21-5-2-4-18(16-21)22-6-3-15-31-23(22)29-25(30-31)28-19-9-7-17(8-10-19)24(32)27-20-11-13-26-14-12-20;1-29(2)15-13-25-23(31)17-9-11-19(12-10-17)26-24-27-22-21(8-5-14-30(22)28-24)18-6-4-7-20(16-18)32-3;1-24(2,25)15-26-22(31)16-9-11-18(12-10-16)27-23-28-21-20(8-5-13-30(21)29-23)17-6-4-7-19(14-17)32-3;1-30-18-5-2-4-16(14-18)19-6-3-13-28-20(19)26-22(27-28)25-17-9-7-15(8-10-17)21(29)24-12-11-23/h2-10,12,18H,11,13-17H2,1H3,(H,27,33)(H,28,30);2-10,15-16,20,26H,11-14H2,1H3,(H,27,32)(H,28,30);4-12,14,16H,13,15H2,1-3H3,(H,25,31)(H,26,28);4-14H,15,25H2,1-3H3,(H,26,31)(H,27,29);2-10,13-14H,11-12,23H2,1H3,(H,24,29)(H,25,27)
InChIKeyBIUYOFWKUHXFSU-UHFFFAOYSA-N
MW2178.55 g/mol
LogP16.73
Rot. Bonds36

About N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide

N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide (PubChem CID 157362673) has the molecular formula C121H128N30O11 and a molecular weight of 2178.55 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
PubChem CID157362673
Molecular FormulaC121H128N30O11
Molecular Weight2178.55 g/mol
Exact Mass2177.04
IUPAC NameN-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
SMILESCOc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCC(C)(C)N)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN(C)C)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nc23)c1
InChIInChI=1S/C26H28N6O3.C25H26N6O2.2C24H26N6O2.C22H22N6O2/c1-34-22-5-2-4-20(18-22)23-6-3-12-32-24(23)29-26(30-32)28-21-9-7-19(8-10-21)25(33)27-11-13-31-14-16-35-17-15-31;1-33-21-5-2-4-18(16-21)22-6-3-15-31-23(22)29-25(30-31)28-19-9-7-17(8-10-19)24(32)27-20-11-13-26-14-12-20;1-29(2)15-13-25-23(31)17-9-11-19(12-10-17)26-24-27-22-21(8-5-14-30(22)28-24)18-6-4-7-20(16-18)32-3;1-24(2,25)15-26-22(31)16-9-11-18(12-10-16)27-23-28-21-20(8-5-13-30(21)29-23)17-6-4-7-19(14-17)32-3;1-30-18-5-2-4-16(14-18)19-6-3-13-28-20(19)26-22(27-28)25-17-9-7-15(8-10-17)21(29)24-12-11-23/h2-10,12,18H,11,13-17H2,1H3,(H,27,33)(H,28,30);2-10,15-16,20,26H,11-14H2,1H3,(H,27,32)(H,28,30);4-12,14,16H,13,15H2,1-3H3,(H,25,31)(H,26,28);4-14H,15,25H2,1-3H3,(H,26,31)(H,27,29);2-10,13-14H,11-12,23H2,1H3,(H,24,29)(H,25,27)
InChIKeyBIUYOFWKUHXFSU-UHFFFAOYSA-N
XLogP16.73
TPSA482.53 Ų
H-Bond Donors13
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms162
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002178.55
LogP ≤ 516.73
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1036

Analyze N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The IUPAC name of N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide (CID 157362673) is N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide is COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCNCC5)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCC(C)(C)N)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN(C)C)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN)cc4)nc23)c1.COc1cccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nc23)c1.
What is the InChIKey of N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
The InChIKey is BIUYOFWKUHXFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3.C25H26N6O2.2C24H26N6O2.C22H22N6O2/c1-34-22-5-2-4-20(18-22)23-6-3-12-32-24(23)29-26(30-32)28-21-9-7-19(8-10-21)25(33)27-11-13-31-14-16-35-17-15-31;1-33-21-5-2-4-18(16-21)22-6-3-15-31-23(22)29-25(30-31)28-19-9-7-17(8-10-19)24(32)27-20-11-13-26-14-12-20;1-29(2)15-13-25-23(31)17-9-11-19(12-10-17)26-24-27-22-21(8-5-14-30(22)28-24)18-6-4-7-20(16-18)32-3;1-24(2,25)15-26-22(31)16-9-11-18(12-10-16)27-23-28-21-20(8-5-13-30(21)29-23)17-6-4-7-19(14-17)32-3;1-30-18-5-2-4-16(14-18)19-6-3-13-28-20(19)26-22(27-28)25-17-9-7-15(8-10-17)21(29)24-12-11-23/h2-10,12,18H,11,13-17H2,1H3,(H,27,33)(H,28,30);2-10,15-16,20,26H,11-14H2,1H3,(H,27,32)(H,28,30);4-12,14,16H,13,15H2,1-3H3,(H,25,31)(H,26,28);4-14H,15,25H2,1-3H3,(H,26,31)(H,27,29);2-10,13-14H,11-12,23H2,1H3,(H,24,29)(H,25,27).
What are the key properties of N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide?
N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide has a molecular weight of 2178.55 g/mol, XLogP of 16.73, 36 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-amino-2-methylpropyl)-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 157362673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).