N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide

C79H79F5N22O13S3 — CID 162084109

About N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide

N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 162084109) has the molecular formula C79H79F5N22O13S3 and a molecular weight of 1735.83 g/mol. Its IUPAC name is N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

• Compound Name: N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
• PubChem CID: 162084109
• Molecular Formula: C79H79F5N22O13S3
• Molecular Weight: 1735.83 g/mol
• Exact Mass: 1734.53
• IUPAC Name: N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
• SMILES: COc1cc(C(=O)NCC(F)(F)F)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(C(N)=O)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(S(C)(=O)=O)ccc1Nc1nc2ccc(C)cn2n1.Cc1ccc2nc(Nc3ccc(S(C)(=O)=O)cc3OC(F)F)nn2c1.Cc1ccc2nc(Nc3ccc(S(C)(=O)=O)cc3OC3CC3)nn2c1
• InChI: InChI=1S/C17H16F3N5O2.C17H18N4O3S.C15H14F2N4O3S.C15H15N5O2.C15H16N4O3S/c1-10-3-6-14-23-16(24-25(14)8-10)22-12-5-4-11(7-13(12)27-2)15(26)21-9-17(18,19)20;1-11-3-8-16-19-17(20-21(16)10-11)18-14-7-6-13(25(2,22)23)9-15(14)24-12-4-5-12;1-9-3-6-13-19-15(20-21(13)8-9)18-11-5-4-10(25(2,22)23)7-12(11)24-14(16)17;1-9-3-6-13-18-15(19-20(13)8-9)17-11-5-4-10(14(16)21)7-12(11)22-2;1-10-4-7-14-17-15(18-19(14)9-10)16-12-6-5-11(23(3,20)21)8-13(12)22-2/h3-8H,9H2,1-2H3,(H,21,26)(H,22,24);3,6-10,12H,4-5H2,1-2H3,(H,18,20);3-8,14H,1-2H3,(H,18,20);3-8H,1-2H3,(H2,16,21)(H,17,19);4-9H,1-3H3,(H,16,18)
• InChIKey: ZCSQLNMYHHQYBF-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 431.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1735.83
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide?

The IUPAC name of N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 162084109) is N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide.

What is the SMILES notation for N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide?

The canonical SMILES for N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide is COc1cc(C(=O)NCC(F)(F)F)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(C(N)=O)ccc1Nc1nc2ccc(C)cn2n1.COc1cc(S(C)(=O)=O)ccc1Nc1nc2ccc(C)cn2n1.Cc1ccc2nc(Nc3ccc(S(C)(=O)=O)cc3OC(F)F)nn2c1.Cc1ccc2nc(Nc3ccc(S(C)(=O)=O)cc3OC3CC3)nn2c1.

What is the InChIKey of N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide?

The InChIKey is ZCSQLNMYHHQYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2.C17H18N4O3S.C15H14F2N4O3S.C15H15N5O2.C15H16N4O3S/c1-10-3-6-14-23-16(24-25(14)8-10)22-12-5-4-11(7-13(12)27-2)15(26)21-9-17(18,19)20;1-11-3-8-16-19-17(20-21(16)10-11)18-14-7-6-13(25(2,22)23)9-15(14)24-12-4-5-12;1-9-3-6-13-19-15(20-21(13)8-9)18-11-5-4-10(25(2,22)23)7-12(11)24-14(16)17;1-9-3-6-13-18-15(19-20(13)8-9)17-11-5-4-10(14(16)21)7-12(11)22-2;1-10-4-7-14-17-15(18-19(14)9-10)16-12-6-5-11(23(3,20)21)8-13(12)22-2/h3-8H,9H2,1-2H3,(H,21,26)(H,22,24);3,6-10,12H,4-5H2,1-2H3,(H,18,20);3-8,14H,1-2H3,(H,18,20);3-8H,1-2H3,(H2,16,21)(H,17,19);4-9H,1-3H3,(H,16,18).

What are the key properties of N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide?

N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 1735.83 g/mol, XLogP of 12.68, 23 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 162084109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).