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

C23H27N5O — CID 44525556

IUPAC4-[6-amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol
SMILESCc1cc(-c2cnc(N)c(-c3ccc(N4CCN(C)CC4)nc3)c2)cc(C)c1O
InChIInChI=1S/C23H27N5O/c1-15-10-18(11-16(2)22(15)29)19-12-20(23(24)26-14-19)17-4-5-21(25-13-17)28-8-6-27(3)7-9-28/h4-5,10-14,29H,6-9H2,1-3H3,(H2,24,26)
InChIKeyASGQPSQTJICXHR-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.47
Rot. Bonds3

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

4-[6-amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol (PubChem CID 44525556) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[6-amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[6-amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol
PubChem CID44525556
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name4-[6-amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol
SMILESCc1cc(-c2cnc(N)c(-c3ccc(N4CCN(C)CC4)nc3)c2)cc(C)c1O
InChIInChI=1S/C23H27N5O/c1-15-10-18(11-16(2)22(15)29)19-12-20(23(24)26-14-19)17-4-5-21(25-13-17)28-8-6-27(3)7-9-28/h4-5,10-14,29H,6-9H2,1-3H3,(H2,24,26)
InChIKeyASGQPSQTJICXHR-UHFFFAOYSA-N
XLogP3.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol?
The IUPAC name of 4-[6-amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol (CID 44525556) is 4-[6-amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[6-amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[6-amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol is Cc1cc(-c2cnc(N)c(-c3ccc(N4CCN(C)CC4)nc3)c2)cc(C)c1O.
What is the InChIKey of 4-[6-amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol?
The InChIKey is ASGQPSQTJICXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-15-10-18(11-16(2)22(15)29)19-12-20(23(24)26-14-19)17-4-5-21(25-13-17)28-8-6-27(3)7-9-28/h4-5,10-14,29H,6-9H2,1-3H3,(H2,24,26).
What are the key properties of 4-[6-amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol?
4-[6-amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol has a molecular weight of 389.50 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol is sourced from PubChem (CID 44525556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).