3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol

C25H17FN6O — CID 137311123

About 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol

3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (PubChem CID 137311123) has the molecular formula C25H17FN6O and a molecular weight of 436.45 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.

Molecular Properties

• Compound Name: 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
• PubChem CID: 137311123
• Molecular Formula: C25H17FN6O
• Molecular Weight: 436.45 g/mol
• Exact Mass: 436.14
• IUPAC Name: 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol
• SMILES: Cc1ccncc1-c1cnc2n[nH]c(-c3cc4c(-c5cc(O)cc(F)c5)nccc4[nH]3)c2c1
• InChI: InChI=1S/C25H17FN6O/c1-13-2-4-27-12-20(13)15-8-19-24(31-32-25(19)29-11-15)22-10-18-21(30-22)3-5-28-23(18)14-6-16(26)9-17(33)7-14/h2-12,30,33H,1H3,(H,29,31,32)
• InChIKey: UIQOIVXCJIODOD-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 103.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.45
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?

The IUPAC name of 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol (CID 137311123) is 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol.

What is the SMILES notation for 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?

The canonical SMILES for 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is Cc1ccncc1-c1cnc2n[nH]c(-c3cc4c(-c5cc(O)cc(F)c5)nccc4[nH]3)c2c1.

What is the InChIKey of 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?

The InChIKey is UIQOIVXCJIODOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN6O/c1-13-2-4-27-12-20(13)15-8-19-24(31-32-25(19)29-11-15)22-10-18-21(30-22)3-5-28-23(18)14-6-16(26)9-17(33)7-14/h2-12,30,33H,1H3,(H,29,31,32).

What are the key properties of 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol?

3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol has a molecular weight of 436.45 g/mol, XLogP of 5.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]phenol is sourced from PubChem (CID 137311123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).