5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol

C24H15FN6O — CID 137040673

About 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol

5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol (PubChem CID 137040673) has the molecular formula C24H15FN6O and a molecular weight of 422.42 g/mol. Its IUPAC name is 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
• PubChem CID: 137040673
• Molecular Formula: C24H15FN6O
• Molecular Weight: 422.42 g/mol
• Exact Mass: 422.13
• IUPAC Name: 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol
• SMILES: Oc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C24H15FN6O/c25-16-3-1-2-13(4-16)20-11-27-12-22-18(20)7-21(29-22)23-19-6-15(9-28-24(19)31-30-23)14-5-17(32)10-26-8-14/h1-12,29,32H,(H,28,30,31)
• InChIKey: BSGOYBBMLBAYJV-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 103.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.42
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol (CID 137040673) is 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol.

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

The canonical SMILES for 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol is Oc1cncc(-c2cnc3n[nH]c(-c4cc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1.

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

The InChIKey is BSGOYBBMLBAYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN6O/c25-16-3-1-2-13(4-16)20-11-27-12-22-18(20)7-21(29-22)23-19-6-15(9-28-24(19)31-30-23)14-5-17(32)10-26-8-14/h1-12,29,32H,(H,28,30,31).

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

5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol has a molecular weight of 422.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 137040673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).