3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol

C24H15FN6O — CID 137113726

About 3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol

3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol (PubChem CID 137113726) has the molecular formula C24H15FN6O and a molecular weight of 422.42 g/mol. Its IUPAC name is 3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol.

Molecular Properties

• Compound Name: 3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol
• PubChem CID: 137113726
• Molecular Formula: C24H15FN6O
• Molecular Weight: 422.42 g/mol
• Exact Mass: 422.13
• IUPAC Name: 3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol
• SMILES: Oc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncnc6)cc45)cc23)c1
• InChI: InChI=1S/C24H15FN6O/c25-15-4-13(5-16(32)6-15)17-2-1-3-20-18(17)7-22(29-20)24-19-8-21(14-9-26-12-27-10-14)28-11-23(19)30-31-24/h1-12,29,32H,(H,30,31)
• InChIKey: MDTGQROQKZFQAO-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 3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol?

The IUPAC name of 3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol (CID 137113726) is 3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol.

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

The canonical SMILES for 3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol is Oc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncnc6)cc45)cc23)c1.

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

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

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

3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol 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 3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-indol-4-yl]phenol is sourced from PubChem (CID 137113726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).