4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol

C24H28N4O — CID 44525554

IUPAC4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol
SMILESCc1cc(-c2cnc(N)c(-c3ccc(N4CCN(C)CC4)cc3)c2)cc(C)c1O
InChIInChI=1S/C24H28N4O/c1-16-12-19(13-17(2)23(16)29)20-14-22(24(25)26-15-20)18-4-6-21(7-5-18)28-10-8-27(3)9-11-28/h4-7,12-15,29H,8-11H2,1-3H3,(H2,25,26)
InChIKeyUSYVDEUJHKKOLX-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.07
Rot. Bonds3

About 4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol

4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol (PubChem CID 44525554) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol
PubChem CID44525554
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol
SMILESCc1cc(-c2cnc(N)c(-c3ccc(N4CCN(C)CC4)cc3)c2)cc(C)c1O
InChIInChI=1S/C24H28N4O/c1-16-12-19(13-17(2)23(16)29)20-14-22(24(25)26-15-20)18-4-6-21(7-5-18)28-10-8-27(3)9-11-28/h4-7,12-15,29H,8-11H2,1-3H3,(H2,25,26)
InChIKeyUSYVDEUJHKKOLX-UHFFFAOYSA-N
XLogP4.07
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol?
The IUPAC name of 4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol (CID 44525554) is 4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol is Cc1cc(-c2cnc(N)c(-c3ccc(N4CCN(C)CC4)cc3)c2)cc(C)c1O.
What is the InChIKey of 4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol?
The InChIKey is USYVDEUJHKKOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-16-12-19(13-17(2)23(16)29)20-14-22(24(25)26-15-20)18-4-6-21(7-5-18)28-10-8-27(3)9-11-28/h4-7,12-15,29H,8-11H2,1-3H3,(H2,25,26).
What are the key properties of 4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol?
4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol has a molecular weight of 388.52 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol is sourced from PubChem (CID 44525554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).