7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one

C27H23F4N7O3 — CID 167265237

About 7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one

7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 167265237) has the molecular formula C27H23F4N7O3 and a molecular weight of 569.52 g/mol. Its IUPAC name is 7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 167265237
• Molecular Formula: C27H23F4N7O3
• Molecular Weight: 569.52 g/mol
• Exact Mass: 569.18
• IUPAC Name: 7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: Cc1cccc(-n2ncc(C3OC3Nc3ccc(Oc4ccnc5[nH]c(=O)n(C(C)C)c45)c(F)c3)c2C(F)(F)F)n1
• InChI: InChI=1S/C27H23F4N7O3/c1-13(2)37-21-19(9-10-32-24(21)36-26(37)39)40-18-8-7-15(11-17(18)28)35-25-22(41-25)16-12-33-38(23(16)27(29,30)31)20-6-4-5-14(3)34-20/h4-13,22,25,35H,1-3H3,(H,32,36,39)
• InChIKey: MDYQSVDXTZUINB-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 115.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.52
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one (CID 167265237) is 7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one is Cc1cccc(-n2ncc(C3OC3Nc3ccc(Oc4ccnc5[nH]c(=O)n(C(C)C)c45)c(F)c3)c2C(F)(F)F)n1.

What is the InChIKey of 7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is MDYQSVDXTZUINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F4N7O3/c1-13(2)37-21-19(9-10-32-24(21)36-26(37)39)40-18-8-7-15(11-17(18)28)35-25-22(41-25)16-12-33-38(23(16)27(29,30)31)20-6-4-5-14(3)34-20/h4-13,22,25,35H,1-3H3,(H,32,36,39).

What are the key properties of 7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one?

7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 569.52 g/mol, XLogP of 5.65, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 167265237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).