3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one

C28H26N8O3 — CID 123133243

IUPAC3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one
SMILESO=C1NC(c2ccc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cn2)NO1
InChIInChI=1S/C28H26N8O3/c37-28-33-25(34-39-28)23-10-6-19(15-29-23)24-16-30-26(35-11-13-38-14-12-35)27-32-21(17-36(24)27)9-8-20-7-5-18-3-1-2-4-22(18)31-20/h1-7,10,15-17,25,34H,8-9,11-14H2,(H,33,37)
InChIKeyYKUBSQXMRHDQPK-UHFFFAOYSA-N
MW522.57 g/mol
LogP3.20
Rot. Bonds6

About 3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one

3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one (PubChem CID 123133243) has the molecular formula C28H26N8O3 and a molecular weight of 522.57 g/mol. Its IUPAC name is 3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one
PubChem CID123133243
Molecular FormulaC28H26N8O3
Molecular Weight522.57 g/mol
Exact Mass522.21
IUPAC Name3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one
SMILESO=C1NC(c2ccc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cn2)NO1
InChIInChI=1S/C28H26N8O3/c37-28-33-25(34-39-28)23-10-6-19(15-29-23)24-16-30-26(35-11-13-38-14-12-35)27-32-21(17-36(24)27)9-8-20-7-5-18-3-1-2-4-22(18)31-20/h1-7,10,15-17,25,34H,8-9,11-14H2,(H,33,37)
InChIKeyYKUBSQXMRHDQPK-UHFFFAOYSA-N
XLogP3.20
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.57
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one (CID 123133243) is 3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one is O=C1NC(c2ccc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cn2)NO1.
What is the InChIKey of 3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is YKUBSQXMRHDQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O3/c37-28-33-25(34-39-28)23-10-6-19(15-29-23)24-16-30-26(35-11-13-38-14-12-35)27-32-21(17-36(24)27)9-8-20-7-5-18-3-1-2-4-22(18)31-20/h1-7,10,15-17,25,34H,8-9,11-14H2,(H,33,37).
What are the key properties of 3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one?
3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 522.57 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 123133243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).