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

C17H24N6O2 — CID 87053003

IUPAC[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCOc1nccnc1NC1CCN(C(=O)c2ccnn2CC)CC1
InChIInChI=1S/C17H24N6O2/c1-3-23-14(5-8-20-23)17(24)22-11-6-13(7-12-22)21-15-16(25-4-2)19-10-9-18-15/h5,8-10,13H,3-4,6-7,11-12H2,1-2H3,(H,18,21)
InChIKeyBBMBPKXJGJJDCY-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.81
Rot. Bonds6

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

[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (PubChem CID 87053003) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
PubChem CID87053003
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
SMILESCCOc1nccnc1NC1CCN(C(=O)c2ccnn2CC)CC1
InChIInChI=1S/C17H24N6O2/c1-3-23-14(5-8-20-23)17(24)22-11-6-13(7-12-22)21-15-16(25-4-2)19-10-9-18-15/h5,8-10,13H,3-4,6-7,11-12H2,1-2H3,(H,18,21)
InChIKeyBBMBPKXJGJJDCY-UHFFFAOYSA-N
XLogP1.81
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone (CID 87053003) is [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is CCOc1nccnc1NC1CCN(C(=O)c2ccnn2CC)CC1.
What is the InChIKey of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is BBMBPKXJGJJDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-3-23-14(5-8-20-23)17(24)22-11-6-13(7-12-22)21-15-16(25-4-2)19-10-9-18-15/h5,8-10,13H,3-4,6-7,11-12H2,1-2H3,(H,18,21).
What are the key properties of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone?
[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 344.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 87053003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).