(2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C16H17N7O2 — CID 53191983

IUPAC(2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCCC1c1nc(-c2cnccn2)no1
InChIInChI=1S/C16H17N7O2/c1-22-13(5-6-19-22)16(24)23-9-3-2-4-12(23)15-20-14(21-25-15)11-10-17-7-8-18-11/h5-8,10,12H,2-4,9H2,1H3
InChIKeyAWGWBUFAFGCWRQ-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.63
Rot. Bonds3

About (2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 53191983) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID53191983
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name(2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCn1nccc1C(=O)N1CCCCC1c1nc(-c2cnccn2)no1
InChIInChI=1S/C16H17N7O2/c1-22-13(5-6-19-22)16(24)23-9-3-2-4-12(23)15-20-14(21-25-15)11-10-17-7-8-18-11/h5-8,10,12H,2-4,9H2,1H3
InChIKeyAWGWBUFAFGCWRQ-UHFFFAOYSA-N
XLogP1.63
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 53191983) is (2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cn1nccc1C(=O)N1CCCCC1c1nc(-c2cnccn2)no1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is AWGWBUFAFGCWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c1-22-13(5-6-19-22)16(24)23-9-3-2-4-12(23)15-20-14(21-25-15)11-10-17-7-8-18-11/h5-8,10,12H,2-4,9H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 339.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53191983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).