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

C33H25FN6O2 — CID 137379646

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

3-fluoro-5-[2-[5-[5-[(1-hydroxy-2-phenylethyl)amino]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol (PubChem CID 137379646) has the molecular formula C33H25FN6O2 and a molecular weight of 556.60 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-[5-[(1-hydroxy-2-phenylethyl)amino]-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-[(1-hydroxy-2-phenylethyl)amino]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol
• PubChem CID: 137379646
• Molecular Formula: C33H25FN6O2
• Molecular Weight: 556.60 g/mol
• Exact Mass: 556.20
• IUPAC Name: 3-fluoro-5-[2-[5-[5-[(1-hydroxy-2-phenylethyl)amino]-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(NC(O)Cc7ccccc7)c6)cc45)cc23)c1
• InChI: InChI=1S/C33H25FN6O2/c34-22-10-20(12-24(41)13-22)25-7-4-8-28-26(25)14-30(38-28)33-27-15-29(36-18-31(27)39-40-33)21-11-23(17-35-16-21)37-32(42)9-19-5-2-1-3-6-19/h1-8,10-18,32,37-38,41-42H,9H2,(H,39,40)
• InChIKey: MYFLIZQMSJIBJP-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 122.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.60
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[5-[5-[(1-hydroxy-2-phenylethyl)amino]-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-[(1-hydroxy-2-phenylethyl)amino]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol (CID 137379646) is 3-fluoro-5-[2-[5-[5-[(1-hydroxy-2-phenylethyl)amino]-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-[(1-hydroxy-2-phenylethyl)amino]-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-[(1-hydroxy-2-phenylethyl)amino]-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(NC(O)Cc7ccccc7)c6)cc45)cc23)c1.

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

The InChIKey is MYFLIZQMSJIBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25FN6O2/c34-22-10-20(12-24(41)13-22)25-7-4-8-28-26(25)14-30(38-28)33-27-15-29(36-18-31(27)39-40-33)21-11-23(17-35-16-21)37-32(42)9-19-5-2-1-3-6-19/h1-8,10-18,32,37-38,41-42H,9H2,(H,39,40).

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

3-fluoro-5-[2-[5-[5-[(1-hydroxy-2-phenylethyl)amino]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol has a molecular weight of 556.60 g/mol, XLogP of 6.65, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-[2-[5-[5-[(1-hydroxy-2-phenylethyl)amino]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenol is sourced from PubChem (CID 137379646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).