[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone

C23H23N7O2 — CID 90491428

IUPAC[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESCC(C)c1nc(-c2ccc(N3CCN(C(=O)c4cnc5ccccc5n4)CC3)nc2)no1
InChIInChI=1S/C23H23N7O2/c1-15(2)22-27-21(28-32-22)16-7-8-20(25-13-16)29-9-11-30(12-10-29)23(31)19-14-24-17-5-3-4-6-18(17)26-19/h3-8,13-15H,9-12H2,1-2H3
InChIKeyZDVDSJYQXFKRHZ-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.16
Rot. Bonds4

About [4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone

[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 90491428) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is [4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID90491428
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
SMILESCC(C)c1nc(-c2ccc(N3CCN(C(=O)c4cnc5ccccc5n4)CC3)nc2)no1
InChIInChI=1S/C23H23N7O2/c1-15(2)22-27-21(28-32-22)16-7-8-20(25-13-16)29-9-11-30(12-10-29)23(31)19-14-24-17-5-3-4-6-18(17)26-19/h3-8,13-15H,9-12H2,1-2H3
InChIKeyZDVDSJYQXFKRHZ-UHFFFAOYSA-N
XLogP3.16
TPSA101.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone (CID 90491428) is [4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone is CC(C)c1nc(-c2ccc(N3CCN(C(=O)c4cnc5ccccc5n4)CC3)nc2)no1.
What is the InChIKey of [4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is ZDVDSJYQXFKRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-15(2)22-27-21(28-32-22)16-7-8-20(25-13-16)29-9-11-30(12-10-29)23(31)19-14-24-17-5-3-4-6-18(17)26-19/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of [4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone?
[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 429.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 90491428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).