N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

C26H25F3N4O4 — CID 174237650

About N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 174237650) has the molecular formula C26H25F3N4O4 and a molecular weight of 514.50 g/mol. Its IUPAC name is N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
• PubChem CID: 174237650
• Molecular Formula: C26H25F3N4O4
• Molecular Weight: 514.50 g/mol
• Exact Mass: 514.18
• IUPAC Name: N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
• SMILES: O=C(CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)NC(CO)Cc1ccc(O)cc1
• InChI: InChI=1S/C26H25F3N4O4/c27-26(28,29)37-21-9-5-18(6-10-21)15-33-23(32-22-2-1-13-30-25(22)33)11-12-24(36)31-19(16-34)14-17-3-7-20(35)8-4-17/h1-10,13,19,34-35H,11-12,14-16H2,(H,31,36)
• InChIKey: GLXBUMTXVGBKFB-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 109.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.50
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?

The IUPAC name of N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (CID 174237650) is N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

What is the SMILES notation for N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?

The canonical SMILES for N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is O=C(CCc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)NC(CO)Cc1ccc(O)cc1.

What is the InChIKey of N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?

The InChIKey is GLXBUMTXVGBKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O4/c27-26(28,29)37-21-9-5-18(6-10-21)15-33-23(32-22-2-1-13-30-25(22)33)11-12-24(36)31-19(16-34)14-17-3-7-20(35)8-4-17/h1-10,13,19,34-35H,11-12,14-16H2,(H,31,36).

What are the key properties of N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?

N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 514.50 g/mol, XLogP of 3.74, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 174237650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).