4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride

C23H27ClN6O — CID 155563837

IUPAC4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride
SMILESCl.c1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C23H26N6O.ClH/c1-2-19(17-25-7-1)21-16-22(27-23(26-21)18-3-8-24-9-4-18)29-10-5-20(6-11-29)28-12-14-30-15-13-28;/h1-4,7-9,16-17,20H,5-6,10-15H2;1H
InChIKeyQFZCVWLTCJFDBA-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.32
Rot. Bonds4

About 4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride

4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride (PubChem CID 155563837) has the molecular formula C23H27ClN6O and a molecular weight of 438.96 g/mol. Its IUPAC name is 4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride
PubChem CID155563837
Molecular FormulaC23H27ClN6O
Molecular Weight438.96 g/mol
Exact Mass438.19
IUPAC Name4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride
SMILESCl.c1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C23H26N6O.ClH/c1-2-19(17-25-7-1)21-16-22(27-23(26-21)18-3-8-24-9-4-18)29-10-5-20(6-11-29)28-12-14-30-15-13-28;/h1-4,7-9,16-17,20H,5-6,10-15H2;1H
InChIKeyQFZCVWLTCJFDBA-UHFFFAOYSA-N
XLogP3.32
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride 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-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride?
The IUPAC name of 4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride (CID 155563837) is 4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride.
What is the SMILES notation for 4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride?
The canonical SMILES for 4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride is Cl.c1cncc(-c2cc(N3CCC(N4CCOCC4)CC3)nc(-c3ccncc3)n2)c1.
What is the InChIKey of 4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride?
The InChIKey is QFZCVWLTCJFDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O.ClH/c1-2-19(17-25-7-1)21-16-22(27-23(26-21)18-3-8-24-9-4-18)29-10-5-20(6-11-29)28-12-14-30-15-13-28;/h1-4,7-9,16-17,20H,5-6,10-15H2;1H.
What are the key properties of 4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride?
4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride has a molecular weight of 438.96 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-pyridin-3-yl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]morpholine;hydrochloride is sourced from PubChem (CID 155563837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).