3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine

C77H60F25N21O7 — CID 163785645

About 3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine

3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine (PubChem CID 163785645) has the molecular formula C77H60F25N21O7 and a molecular weight of 1866.42 g/mol. Its IUPAC name is 3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine.

Molecular Properties

• Compound Name: 3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine
• PubChem CID: 163785645
• Molecular Formula: C77H60F25N21O7
• Molecular Weight: 1866.42 g/mol
• Exact Mass: 1865.46
• IUPAC Name: 3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine
• SMILES: CC(F)(F)Cn1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cc21.CC(F)(F)Cn1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)nc21.CC(F)(F)Cn1nnc2ncc(-c3ccc(OC(F)(F)F)cc3)cc21.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnn(CC(C)(F)F)c2n1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnn(CC(C)(F)F)c2n1
• InChI: InChI=1S/C17H15F5N4O2.C16H13F5N4O2.2C15H11F5N4O.C14H10F5N5O/c1-16(18,19)9-26-15-14(24-25-26)6-5-13(23-15)12-4-3-11(28-17(20,21)22)7-10(12)8-27-2;1-15(17,18)8-25-14-12(23-24-25)6-5-11(22-14)10-4-3-9(7-13(10)26-2)27-16(19,20)21;1-14(16,17)8-24-12-6-10(7-21-13(12)22-23-24)9-2-4-11(5-3-9)25-15(18,19)20;1-14(16,17)8-24-13-6-11(21-7-12(13)22-23-24)9-2-4-10(5-3-9)25-15(18,19)20;1-13(15,16)7-24-12-10(22-23-24)6-20-11(21-12)8-2-4-9(5-3-8)25-14(17,18)19/h3-7H,8-9H2,1-2H3;3-7H,8H2,1-2H3;2*2-7H,8H2,1H3;2-6H,7H2,1H3
• InChIKey: MSHAHLSPSIWTKU-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 295.50 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 23
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1866.42
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine?

The IUPAC name of 3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine (CID 163785645) is 3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine.

What is the SMILES notation for 3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine?

The canonical SMILES for 3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine is CC(F)(F)Cn1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cc21.CC(F)(F)Cn1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)nc21.CC(F)(F)Cn1nnc2ncc(-c3ccc(OC(F)(F)F)cc3)cc21.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnn(CC(C)(F)F)c2n1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnn(CC(C)(F)F)c2n1.

What is the InChIKey of 3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine?

The InChIKey is MSHAHLSPSIWTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N4O2.C16H13F5N4O2.2C15H11F5N4O.C14H10F5N5O/c1-16(18,19)9-26-15-14(24-25-26)6-5-13(23-15)12-4-3-11(28-17(20,21)22)7-10(12)8-27-2;1-15(17,18)8-25-14-12(23-24-25)6-5-11(22-14)10-4-3-9(7-13(10)26-2)27-16(19,20)21;1-14(16,17)8-24-12-6-10(7-21-13(12)22-23-24)9-2-4-11(5-3-9)25-15(18,19)20;1-14(16,17)8-24-13-6-11(21-7-12(13)22-23-24)9-2-4-10(5-3-9)25-15(18,19)20;1-13(15,16)7-24-12-10(22-23-24)6-20-11(21-12)8-2-4-9(5-3-8)25-14(17,18)19/h3-7H,8-9H2,1-2H3;3-7H,8H2,1-2H3;2*2-7H,8H2,1H3;2-6H,7H2,1H3.

What are the key properties of 3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine?

3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine has a molecular weight of 1866.42 g/mol, XLogP of 19.79, 23 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-difluoropropyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;3-(2,2-difluoropropyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine;1-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]triazolo[4,5-c]pyridine;3-(2,2-difluoropropyl)-5-[4-(trifluoromethoxy)phenyl]triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 163785645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).