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

C20H19N7O3 — CID 71780477

IUPAC[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1nc(-c2ccc(N3CCN(C(=O)c4cc(-c5ccco5)[nH]n4)CC3)nc2)no1
InChIInChI=1S/C20H19N7O3/c1-13-22-19(25-30-13)14-4-5-18(21-12-14)26-6-8-27(9-7-26)20(28)16-11-15(23-24-16)17-3-2-10-29-17/h2-5,10-12H,6-9H2,1H3,(H,23,24)
InChIKeyVJSXKQFERSOKQY-UHFFFAOYSA-N
MW405.42 g/mol
LogP2.39
Rot. Bonds4

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

[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 71780477) 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]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID71780477
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1nc(-c2ccc(N3CCN(C(=O)c4cc(-c5ccco5)[nH]n4)CC3)nc2)no1
InChIInChI=1S/C20H19N7O3/c1-13-22-19(25-30-13)14-4-5-18(21-12-14)26-6-8-27(9-7-26)20(28)16-11-15(23-24-16)17-3-2-10-29-17/h2-5,10-12H,6-9H2,1H3,(H,23,24)
InChIKeyVJSXKQFERSOKQY-UHFFFAOYSA-N
XLogP2.39
TPSA117.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone (CID 71780477) is [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1nc(-c2ccc(N3CCN(C(=O)c4cc(-c5ccco5)[nH]n4)CC3)nc2)no1.
What is the InChIKey of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is VJSXKQFERSOKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3/c1-13-22-19(25-30-13)14-4-5-18(21-12-14)26-6-8-27(9-7-26)20(28)16-11-15(23-24-16)17-3-2-10-29-17/h2-5,10-12H,6-9H2,1H3,(H,23,24).
What are the key properties of [5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 405.42 g/mol, XLogP of 2.39, 4 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]-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71780477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).