[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C15H20N6O2 — CID 53185569

IUPAC[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOc1nccnc1NC1CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C15H20N6O2/c1-20-12(3-6-18-20)15(22)21-9-4-11(5-10-21)19-13-14(23-2)17-8-7-16-13/h3,6-8,11H,4-5,9-10H2,1-2H3,(H,16,19)
InChIKeySFYFXIHAGWGHNX-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.94
Rot. Bonds4

About [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 53185569) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID53185569
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOc1nccnc1NC1CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C15H20N6O2/c1-20-12(3-6-18-20)15(22)21-9-4-11(5-10-21)19-13-14(23-2)17-8-7-16-13/h3,6-8,11H,4-5,9-10H2,1-2H3,(H,16,19)
InChIKeySFYFXIHAGWGHNX-UHFFFAOYSA-N
XLogP0.94
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone 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-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 53185569) is [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is COc1nccnc1NC1CCN(C(=O)c2ccnn2C)CC1.
What is the InChIKey of [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is SFYFXIHAGWGHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-20-12(3-6-18-20)15(22)21-9-4-11(5-10-21)19-13-14(23-2)17-8-7-16-13/h3,6-8,11H,4-5,9-10H2,1-2H3,(H,16,19).
What are the key properties of [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 316.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 53185569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).