N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid

C126H106Cl2F2N28O11 — CID 158579743

IUPACN-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
SMILESCC(C)(N)CNC(=O)c1ccc(Nc2nc3c(-c4ccc(F)cc4)cccn3n2)cc1.CN1CCC(NC(=O)c2ccc(Nc3nc4c(-c5ccc(Cl)cc5)cccn4n3)cc2)CC1.COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cc1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cc1.O=C(O)c1ccc(Nc2nc3c(-c4ccc(Cl)cc4)cccn3n2)cc1.O=C(O)c1ccc(Nc2nc3c(-c4ccc(F)cc4)cccn3n2)cc1
InChIInChI=1S/C25H25ClN6O.C23H23FN6O.C20H16N4O3.C20H16N4O2.C19H13ClN4O2.C19H13FN4O2/c1-31-15-12-21(13-16-31)27-24(33)18-6-10-20(11-7-18)28-25-29-23-22(3-2-14-32(23)30-25)17-4-8-19(26)9-5-17;1-23(2,25)14-26-21(31)16-7-11-18(12-8-16)27-22-28-20-19(4-3-13-30(20)29-22)15-5-9-17(24)10-6-15;1-27-16-10-6-13(7-11-16)17-3-2-12-24-18(17)22-20(23-24)21-15-8-4-14(5-9-15)19(25)26;1-13-4-6-14(7-5-13)17-3-2-12-24-18(17)22-20(23-24)21-16-10-8-15(9-11-16)19(25)26;2*20-14-7-3-12(4-8-14)16-2-1-11-24-17(16)22-19(23-24)21-15-9-5-13(6-10-15)18(25)26/h2-11,14,21H,12-13,15-16H2,1H3,(H,27,33)(H,28,30);3-13H,14,25H2,1-2H3,(H,26,31)(H,27,29);2-12H,1H3,(H,21,23)(H,25,26);2-12H,1H3,(H,21,23)(H,25,26);2*1-11H,(H,21,23)(H,25,26)
InChIKeyHTCINRFNMSBTAD-UHFFFAOYSA-N
MW2297.32 g/mol
LogP24.83
Rot. Bonds28

About N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid

N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid (PubChem CID 158579743) has the molecular formula C126H106Cl2F2N28O11 and a molecular weight of 2297.32 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
PubChem CID158579743
Molecular FormulaC126H106Cl2F2N28O11
Molecular Weight2297.32 g/mol
Exact Mass2294.79
IUPAC NameN-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
SMILESCC(C)(N)CNC(=O)c1ccc(Nc2nc3c(-c4ccc(F)cc4)cccn3n2)cc1.CN1CCC(NC(=O)c2ccc(Nc3nc4c(-c5ccc(Cl)cc5)cccn4n3)cc2)CC1.COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cc1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cc1.O=C(O)c1ccc(Nc2nc3c(-c4ccc(Cl)cc4)cccn3n2)cc1.O=C(O)c1ccc(Nc2nc3c(-c4ccc(F)cc4)cccn3n2)cc1
InChIInChI=1S/C25H25ClN6O.C23H23FN6O.C20H16N4O3.C20H16N4O2.C19H13ClN4O2.C19H13FN4O2/c1-31-15-12-21(13-16-31)27-24(33)18-6-10-20(11-7-18)28-25-29-23-22(3-2-14-32(23)30-25)17-4-8-19(26)9-5-17;1-23(2,25)14-26-21(31)16-7-11-18(12-8-16)27-22-28-20-19(4-3-13-30(20)29-22)15-5-9-17(24)10-6-15;1-27-16-10-6-13(7-11-16)17-3-2-12-24-18(17)22-20(23-24)21-15-8-4-14(5-9-15)19(25)26;1-13-4-6-14(7-5-13)17-3-2-12-24-18(17)22-20(23-24)21-16-10-8-15(9-11-16)19(25)26;2*20-14-7-3-12(4-8-14)16-2-1-11-24-17(16)22-19(23-24)21-15-9-5-13(6-10-15)18(25)26/h2-11,14,21H,12-13,15-16H2,1H3,(H,27,33)(H,28,30);3-13H,14,25H2,1-2H3,(H,26,31)(H,27,29);2-12H,1H3,(H,21,23)(H,25,26);2-12H,1H3,(H,21,23)(H,25,26);2*1-11H,(H,21,23)(H,25,26)
InChIKeyHTCINRFNMSBTAD-UHFFFAOYSA-N
XLogP24.83
TPSA499.21 Ų
H-Bond Donors13
H-Bond Acceptors33
Rotatable Bonds28
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002297.32
LogP ≤ 524.83
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1033

Analyze N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid (CID 158579743) is N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid is CC(C)(N)CNC(=O)c1ccc(Nc2nc3c(-c4ccc(F)cc4)cccn3n2)cc1.CN1CCC(NC(=O)c2ccc(Nc3nc4c(-c5ccc(Cl)cc5)cccn4n3)cc2)CC1.COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cc1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cc1.O=C(O)c1ccc(Nc2nc3c(-c4ccc(Cl)cc4)cccn3n2)cc1.O=C(O)c1ccc(Nc2nc3c(-c4ccc(F)cc4)cccn3n2)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
The InChIKey is HTCINRFNMSBTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O.C23H23FN6O.C20H16N4O3.C20H16N4O2.C19H13ClN4O2.C19H13FN4O2/c1-31-15-12-21(13-16-31)27-24(33)18-6-10-20(11-7-18)28-25-29-23-22(3-2-14-32(23)30-25)17-4-8-19(26)9-5-17;1-23(2,25)14-26-21(31)16-7-11-18(12-8-16)27-22-28-20-19(4-3-13-30(20)29-22)15-5-9-17(24)10-6-15;1-27-16-10-6-13(7-11-16)17-3-2-12-24-18(17)22-20(23-24)21-15-8-4-14(5-9-15)19(25)26;1-13-4-6-14(7-5-13)17-3-2-12-24-18(17)22-20(23-24)21-16-10-8-15(9-11-16)19(25)26;2*20-14-7-3-12(4-8-14)16-2-1-11-24-17(16)22-19(23-24)21-15-9-5-13(6-10-15)18(25)26/h2-11,14,21H,12-13,15-16H2,1H3,(H,27,33)(H,28,30);3-13H,14,25H2,1-2H3,(H,26,31)(H,27,29);2-12H,1H3,(H,21,23)(H,25,26);2-12H,1H3,(H,21,23)(H,25,26);2*1-11H,(H,21,23)(H,25,26).
What are the key properties of N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid?
N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid has a molecular weight of 2297.32 g/mol, XLogP of 24.83, 28 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;4-[[8-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid is sourced from PubChem (CID 158579743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).