formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol

C25H31N5O3 — CID 139535418

About formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol

formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol (PubChem CID 139535418) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol.

Molecular Properties

• Compound Name: formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol
• PubChem CID: 139535418
• Molecular Formula: C25H31N5O3
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.24
• IUPAC Name: formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol
• SMILES: CC1(C)CC(Nc2cnc(-c3ccc(-c4ccccn4)cc3O)cn2)CC(C)(C)N1.O=CO
• InChI: InChI=1S/C24H29N5O.CH2O2/c1-23(2)12-17(13-24(3,4)29-23)28-22-15-26-20(14-27-22)18-9-8-16(11-21(18)30)19-7-5-6-10-25-19;2-1-3/h5-11,14-15,17,29-30H,12-13H2,1-4H3,(H,27,28);1H,(H,2,3)
• InChIKey: BGNLMMSZNFUPNO-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 120.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol?

The IUPAC name of formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol (CID 139535418) is formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol.

What is the SMILES notation for formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol?

The canonical SMILES for formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol is CC1(C)CC(Nc2cnc(-c3ccc(-c4ccccn4)cc3O)cn2)CC(C)(C)N1.O=CO.

What is the InChIKey of formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol?

The InChIKey is BGNLMMSZNFUPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O.CH2O2/c1-23(2)12-17(13-24(3,4)29-23)28-22-15-26-20(14-27-22)18-9-8-16(11-21(18)30)19-7-5-6-10-25-19;2-1-3/h5-11,14-15,17,29-30H,12-13H2,1-4H3,(H,27,28);1H,(H,2,3).

What are the key properties of formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol?

formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol has a molecular weight of 449.56 g/mol, XLogP of 4.33, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;5-pyridin-2-yl-2-[5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrazin-2-yl]phenol is sourced from PubChem (CID 139535418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).