[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C20H19N7O3 — CID 90642143

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C20H19N7O3/c28-20(15-10-14(24-25-15)17-4-2-8-29-17)27-7-1-3-13(12-27)9-18-23-19(26-30-18)16-11-21-5-6-22-16/h2,4-6,8,10-11,13H,1,3,7,9,12H2,(H,24,25)
InChIKeySVCVYJMSTXMSBM-UHFFFAOYSA-N
MW405.42 g/mol
LogP2.60
Rot. Bonds5

About [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90642143) has the molecular formula C20H19N7O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID90642143
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C20H19N7O3/c28-20(15-10-14(24-25-15)17-4-2-8-29-17)27-7-1-3-13(12-27)9-18-23-19(26-30-18)16-11-21-5-6-22-16/h2,4-6,8,10-11,13H,1,3,7,9,12H2,(H,24,25)
InChIKeySVCVYJMSTXMSBM-UHFFFAOYSA-N
XLogP2.60
TPSA126.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 90642143) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is SVCVYJMSTXMSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3/c28-20(15-10-14(24-25-15)17-4-2-8-29-17)27-7-1-3-13(12-27)9-18-23-19(26-30-18)16-11-21-5-6-22-16/h2,4-6,8,10-11,13H,1,3,7,9,12H2,(H,24,25).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 405.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90642143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).