4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-b]pyridin-5-ol

C24H20FN5O — CID 137028714

About 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-b]pyridin-5-ol

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137028714) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

• Compound Name: 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
• PubChem CID: 137028714
• Molecular Formula: C24H20FN5O
• Molecular Weight: 413.46 g/mol
• Exact Mass: 413.17
• IUPAC Name: 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-b]pyridin-5-ol
• SMILES: Cc1ccc(Cn2cc3nccc(-c4cn(C)nc4-c4ccc(F)cc4)c3c2O)cn1
• InChI: InChI=1S/C24H20FN5O/c1-15-3-4-16(11-27-15)12-30-14-21-22(24(30)31)19(9-10-26-21)20-13-29(2)28-23(20)17-5-7-18(25)8-6-17/h3-11,13-14,31H,12H2,1-2H3
• InChIKey: CFQYXBADTQNROC-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 68.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.46
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-b]pyridin-5-ol (CID 137028714) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-b]pyridin-5-ol.

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

The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-b]pyridin-5-ol is Cc1ccc(Cn2cc3nccc(-c4cn(C)nc4-c4ccc(F)cc4)c3c2O)cn1.

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

The InChIKey is CFQYXBADTQNROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-15-3-4-16(11-27-15)12-30-14-21-22(24(30)31)19(9-10-26-21)20-13-29(2)28-23(20)17-5-7-18(25)8-6-17/h3-11,13-14,31H,12H2,1-2H3.

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

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 413.46 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-[(6-methyl-3-pyridinyl)methyl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137028714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).