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

C32H22FN5O2 — CID 137113808

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

3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol (PubChem CID 137113808) has the molecular formula C32H22FN5O2 and a molecular weight of 527.56 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol.

Molecular Properties

• Compound Name: 3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol
• PubChem CID: 137113808
• Molecular Formula: C32H22FN5O2
• Molecular Weight: 527.56 g/mol
• Exact Mass: 527.18
• IUPAC Name: 3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol
• SMILES: Oc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)c1
• InChI: InChI=1S/C32H22FN5O2/c33-22-9-20(10-23(39)12-22)25-7-4-8-28-26(25)13-30(36-28)32-27-14-29(35-17-31(27)37-38-32)21-11-24(16-34-15-21)40-18-19-5-2-1-3-6-19/h1-17,36,39H,18H2,(H,37,38)
• InChIKey: ZFFNCDWLSJVVRU-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 99.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.56
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol (CID 137113808) is 3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol.

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

The canonical SMILES for 3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol is Oc1cc(F)cc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)c1.

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

The InChIKey is ZFFNCDWLSJVVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22FN5O2/c33-22-9-20(10-23(39)12-22)25-7-4-8-28-26(25)13-30(36-28)32-27-14-29(35-17-31(27)37-38-32)21-11-24(16-34-15-21)40-18-19-5-2-1-3-6-19/h1-17,36,39H,18H2,(H,37,38).

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

3-fluoro-5-[2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol has a molecular weight of 527.56 g/mol, XLogP of 7.26, 6 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-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol is sourced from PubChem (CID 137113808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).