[4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine

C27H33N5O2 — CID 155194366

IUPAC[4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C3CCOCC3)nc2)cc1
InChIInChI=1S/C27H33N5O2/c28-15-19-1-3-22(4-2-19)26-27(23-5-6-24(30-16-23)21-9-13-33-14-10-21)32-25(17-31-26)34-18-20-7-11-29-12-8-20/h1-6,16-17,20-21,29H,7-15,18,28H2
InChIKeyQGBBSWMYCDVRLB-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.94
Rot. Bonds7

About [4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine

[4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine (PubChem CID 155194366) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is [4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
PubChem CID155194366
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name[4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C3CCOCC3)nc2)cc1
InChIInChI=1S/C27H33N5O2/c28-15-19-1-3-22(4-2-19)26-27(23-5-6-24(30-16-23)21-9-13-33-14-10-21)32-25(17-31-26)34-18-20-7-11-29-12-8-20/h1-6,16-17,20-21,29H,7-15,18,28H2
InChIKeyQGBBSWMYCDVRLB-UHFFFAOYSA-N
XLogP3.94
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine 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-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine (CID 155194366) is [4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine is NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C3CCOCC3)nc2)cc1.
What is the InChIKey of [4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The InChIKey is QGBBSWMYCDVRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c28-15-19-1-3-22(4-2-19)26-27(23-5-6-24(30-16-23)21-9-13-33-14-10-21)32-25(17-31-26)34-18-20-7-11-29-12-8-20/h1-6,16-17,20-21,29H,7-15,18,28H2.
What are the key properties of [4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
[4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine has a molecular weight of 459.59 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[6-(oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 155194366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).