3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine

C97H82F23N19O8 — CID 162256108

About 3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine

3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine (PubChem CID 162256108) has the molecular formula C97H82F23N19O8 and a molecular weight of 2082.83 g/mol. Its IUPAC name is 3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine
• PubChem CID: 162256108
• Molecular Formula: C97H82F23N19O8
• Molecular Weight: 2082.83 g/mol
• Exact Mass: 2081.65
• IUPAC Name: 3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine
• SMILES: COc1cc(OC(F)(F)F)ccc1-c1ccn2ncc(C)c2c1.Cc1cc(-c2cnc(OCC(F)(F)F)c(F)c2)cc2ccnn12.Cc1cc(-c2cnc(O[C@@H](C)C(F)(F)F)c(F)c2)cc2ccnn12.Cc1cc(-c2cnc(O[C@H](C)C(F)(F)F)c(F)c2)cc2ccnn12.[2H]C([2H])(C)c1nnn2ccc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cc12.[2H]C([2H])(OC)c1nnn2ccc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cc12
• InChI: InChI=1S/C17H16F4N4O2.C17H16F4N4O.2C16H13F4N3O.C16H13F3N2O2.C15H11F4N3O/c1-16(2,17(19,20)21)27-15-12(18)6-11(8-22-15)10-4-5-25-14(7-10)13(9-26-3)23-24-25;1-4-13-14-8-10(5-6-25(14)24-23-13)11-7-12(18)15(22-9-11)26-16(2,3)17(19,20)21;2*1-9-5-11(6-13-3-4-22-23(9)13)12-7-14(17)15(21-8-12)24-10(2)16(18,19)20;1-10-9-20-21-6-5-11(7-14(10)21)13-4-3-12(8-15(13)22-2)23-16(17,18)19;1-9-4-10(5-12-2-3-21-22(9)12)11-6-13(16)14(20-7-11)23-8-15(17,18)19/h4-8H,9H2,1-3H3;5-9H,4H2,1-3H3;2*3-8,10H,1-2H3;3-9H,1-2H3;2-7H,8H2,1H3/t;;2*10-;;/m..10../s1/i9D2;4D2
• InChIKey: ZYPRBRBUBTYBRC-YLYFWKOHSA-N
• XLogP: 24.36
• TPSA: 267.87 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2082.83
LogP ≤ 5	24.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine?

The IUPAC name of 3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine (CID 162256108) is 3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine.

What is the SMILES notation for 3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine?

The canonical SMILES for 3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine is COc1cc(OC(F)(F)F)ccc1-c1ccn2ncc(C)c2c1.Cc1cc(-c2cnc(OCC(F)(F)F)c(F)c2)cc2ccnn12.Cc1cc(-c2cnc(O[C@@H](C)C(F)(F)F)c(F)c2)cc2ccnn12.Cc1cc(-c2cnc(O[C@H](C)C(F)(F)F)c(F)c2)cc2ccnn12.[2H]C([2H])(C)c1nnn2ccc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cc12.[2H]C([2H])(OC)c1nnn2ccc(-c3cnc(OC(C)(C)C(F)(F)F)c(F)c3)cc12.

What is the InChIKey of 3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine?

The InChIKey is ZYPRBRBUBTYBRC-YLYFWKOHSA-N. The full InChI is InChI=1S/C17H16F4N4O2.C17H16F4N4O.2C16H13F4N3O.C16H13F3N2O2.C15H11F4N3O/c1-16(2,17(19,20)21)27-15-12(18)6-11(8-22-15)10-4-5-25-14(7-10)13(9-26-3)23-24-25;1-4-13-14-8-10(5-6-25(14)24-23-13)11-7-12(18)15(22-9-11)26-16(2,3)17(19,20)21;2*1-9-5-11(6-13-3-4-22-23(9)13)12-7-14(17)15(21-8-12)24-10(2)16(18,19)20;1-10-9-20-21-6-5-11(7-14(10)21)13-4-3-12(8-15(13)22-2)23-16(17,18)19;1-9-4-10(5-12-2-3-21-22(9)12)11-6-13(16)14(20-7-11)23-8-15(17,18)19/h4-8H,9H2,1-3H3;5-9H,4H2,1-3H3;2*3-8,10H,1-2H3;3-9H,1-2H3;2-7H,8H2,1H3/t;;2*10-;;/m..10../s1/i9D2;4D2;;;;.

What are the key properties of 3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine?

3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine has a molecular weight of 2082.83 g/mol, XLogP of 24.36, 21 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-dideuterioethyl)-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;3-[dideuterio(methoxy)methyl]-5-[5-fluoro-6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]triazolo[1,5-a]pyridine;5-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[5-fluoro-6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-7-methylpyrazolo[1,5-a]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 162256108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).