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

C16H22N6O2 — CID 53185570

IUPAC(2-ethylpyrazol-3-yl)-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(Nc2nccnc2OC)CC1
InChIInChI=1S/C16H22N6O2/c1-3-22-13(4-7-19-22)16(23)21-10-5-12(6-11-21)20-14-15(24-2)18-9-8-17-14/h4,7-9,12H,3,5-6,10-11H2,1-2H3,(H,17,20)
InChIKeySBSJPSUPECCVMD-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.42
Rot. Bonds5

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

(2-ethylpyrazol-3-yl)-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone (PubChem CID 53185570) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
PubChem CID53185570
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(2-ethylpyrazol-3-yl)-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(Nc2nccnc2OC)CC1
InChIInChI=1S/C16H22N6O2/c1-3-22-13(4-7-19-22)16(23)21-10-5-12(6-11-21)20-14-15(24-2)18-9-8-17-14/h4,7-9,12H,3,5-6,10-11H2,1-2H3,(H,17,20)
InChIKeySBSJPSUPECCVMD-UHFFFAOYSA-N
XLogP1.42
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone (CID 53185570) is (2-ethylpyrazol-3-yl)-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone is CCn1nccc1C(=O)N1CCC(Nc2nccnc2OC)CC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
The InChIKey is SBSJPSUPECCVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-22-13(4-7-19-22)16(23)21-10-5-12(6-11-21)20-14-15(24-2)18-9-8-17-14/h4,7-9,12H,3,5-6,10-11H2,1-2H3,(H,17,20).
What are the key properties of (2-ethylpyrazol-3-yl)-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 53185570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).