4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol

C23H22F3N5O3 — CID 137059226

About 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol

4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137059226) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

• Compound Name: 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol
• PubChem CID: 137059226
• Molecular Formula: C23H22F3N5O3
• Molecular Weight: 473.46 g/mol
• Exact Mass: 473.17
• IUPAC Name: 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol
• SMILES: Cc1ncc(-c2cc(C)c3c(O)n(-c4ccn(C5CCOC5)n4)cc3n2)cc1OCC(F)(F)F
• InChI: InChI=1S/C23H22F3N5O3/c1-13-7-17(15-8-19(14(2)27-9-15)34-12-23(24,25)26)28-18-10-30(22(32)21(13)18)20-3-5-31(29-20)16-4-6-33-11-16/h3,5,7-10,16,32H,4,6,11-12H2,1-2H3
• InChIKey: XAYGESDVTKXMQZ-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 87.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.46
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol?

The IUPAC name of 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol (CID 137059226) is 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol.

What is the SMILES notation for 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol?

The canonical SMILES for 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol is Cc1ncc(-c2cc(C)c3c(O)n(-c4ccn(C5CCOC5)n4)cc3n2)cc1OCC(F)(F)F.

What is the InChIKey of 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol?

The InChIKey is XAYGESDVTKXMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-13-7-17(15-8-19(14(2)27-9-15)34-12-23(24,25)26)28-18-10-30(22(32)21(13)18)20-3-5-31(29-20)16-4-6-33-11-16/h3,5,7-10,16,32H,4,6,11-12H2,1-2H3.

What are the key properties of 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol?

4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 473.46 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[6-methyl-5-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-[1-(oxolan-3-yl)pyrazol-3-yl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137059226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).