2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol

C27H26F3N7O3 — CID 118114045

About 2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol

2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol (PubChem CID 118114045) has the molecular formula C27H26F3N7O3 and a molecular weight of 553.55 g/mol. Its IUPAC name is 2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol
• PubChem CID: 118114045
• Molecular Formula: C27H26F3N7O3
• Molecular Weight: 553.55 g/mol
• Exact Mass: 553.20
• IUPAC Name: 2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol
• SMILES: COc1cc(C(C)n2c(N)nc3cc(-c4cnn(CCO)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1
• InChI: InChI=1S/C27H26F3N7O3/c1-16(37-25-21(35-26(37)31)9-19(12-33-25)20-13-34-36(14-20)7-8-38)18-4-5-22(23(10-18)39-2)40-15-17-3-6-24(32-11-17)27(28,29)30/h3-6,9-14,16,38H,7-8,15H2,1-2H3,(H2,31,35)
• InChIKey: YJSDXPIYPMIECQ-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 126.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.55
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol?

The IUPAC name of 2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol (CID 118114045) is 2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol.

What is the SMILES notation for 2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol?

The canonical SMILES for 2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol is COc1cc(C(C)n2c(N)nc3cc(-c4cnn(CCO)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1.

What is the InChIKey of 2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol?

The InChIKey is YJSDXPIYPMIECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N7O3/c1-16(37-25-21(35-26(37)31)9-19(12-33-25)20-13-34-36(14-20)7-8-38)18-4-5-22(23(10-18)39-2)40-15-17-3-6-24(32-11-17)27(28,29)30/h3-6,9-14,16,38H,7-8,15H2,1-2H3,(H2,31,35).

What are the key properties of 2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol?

2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol has a molecular weight of 553.55 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-amino-3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 118114045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).