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

C24H21FN6O — CID 137112491

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

3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol (PubChem CID 137112491) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol.

Molecular Properties

• Compound Name: 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
• PubChem CID: 137112491
• Molecular Formula: C24H21FN6O
• Molecular Weight: 428.47 g/mol
• Exact Mass: 428.18
• IUPAC Name: 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol
• SMILES: Oc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)nc45)cc23)c1
• InChI: InChI=1S/C24H21FN6O/c25-15-7-14(8-16(32)9-15)18-11-27-12-22-17(18)10-21(28-22)24-23-20(30-31-24)2-1-19(29-23)13-3-5-26-6-4-13/h1-2,7-13,26,28,32H,3-6H2,(H,30,31)
• InChIKey: PWICZRKAQKIKOA-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 102.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.47
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol (CID 137112491) is 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol.

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

The canonical SMILES for 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol is Oc1cc(F)cc(-c2cncc3[nH]c(-c4n[nH]c5ccc(C6CCNCC6)nc45)cc23)c1.

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

The InChIKey is PWICZRKAQKIKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c25-15-7-14(8-16(32)9-15)18-11-27-12-22-17(18)10-21(28-22)24-23-20(30-31-24)2-1-19(29-23)13-3-5-26-6-4-13/h1-2,7-13,26,28,32H,3-6H2,(H,30,31).

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

3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol has a molecular weight of 428.47 g/mol, XLogP of 4.48, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-[2-(5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-4-yl]phenol is sourced from PubChem (CID 137112491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).