7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine

C28H28F3N9O2 — CID 134456875

About 7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine

7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134456875) has the molecular formula C28H28F3N9O2 and a molecular weight of 579.59 g/mol. Its IUPAC name is 7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134456875
• Molecular Formula: C28H28F3N9O2
• Molecular Weight: 579.59 g/mol
• Exact Mass: 579.23
• IUPAC Name: 7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine
• SMILES: COc1c(Nc2cc(Nc3cccc(C(F)(F)F)n3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1cnn(C)n1
• InChI: InChI=1S/C28H28F3N9O2/c1-16-33-25-19(34-18-9-6-8-17(26(18)41-3)20-15-32-39(2)38-20)14-23(36-22-11-7-10-21(35-22)28(29,30)31)37-27(25)40(16)24-12-4-5-13-42-24/h6-11,14-15,24H,4-5,12-13H2,1-3H3,(H2,34,35,36,37)
• InChIKey: LUYJFGISITWUTD-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 116.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	579.59
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine?

The IUPAC name of 7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine (CID 134456875) is 7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine.

What is the SMILES notation for 7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine?

The canonical SMILES for 7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine is COc1c(Nc2cc(Nc3cccc(C(F)(F)F)n3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1cnn(C)n1.

What is the InChIKey of 7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine?

The InChIKey is LUYJFGISITWUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N9O2/c1-16-33-25-19(34-18-9-6-8-17(26(18)41-3)20-15-32-39(2)38-20)14-23(36-22-11-7-10-21(35-22)28(29,30)31)37-27(25)40(16)24-12-4-5-13-42-24/h6-11,14-15,24H,4-5,12-13H2,1-3H3,(H2,34,35,36,37).

What are the key properties of 7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine?

7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 579.59 g/mol, XLogP of 6.14, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134456875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).