4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

C25H28N6O2 — CID 78829444

IUPAC4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C(CN1CCC(c2nnc3ccccn23)CC1)N1c2ccccc2NC(=O)C12CCCC2
InChIInChI=1S/C25H28N6O2/c32-22(31-20-8-2-1-7-19(20)26-24(33)25(31)12-4-5-13-25)17-29-15-10-18(11-16-29)23-28-27-21-9-3-6-14-30(21)23/h1-3,6-9,14,18H,4-5,10-13,15-17H2,(H,26,33)
InChIKeyCNVBDMGAHIRSBW-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.21
Rot. Bonds3

About 4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 78829444) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
PubChem CID78829444
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C(CN1CCC(c2nnc3ccccn23)CC1)N1c2ccccc2NC(=O)C12CCCC2
InChIInChI=1S/C25H28N6O2/c32-22(31-20-8-2-1-7-19(20)26-24(33)25(31)12-4-5-13-25)17-29-15-10-18(11-16-29)23-28-27-21-9-3-6-14-30(21)23/h1-3,6-9,14,18H,4-5,10-13,15-17H2,(H,26,33)
InChIKeyCNVBDMGAHIRSBW-UHFFFAOYSA-N
XLogP3.21
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one with MolForge

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Related Compounds

4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470222
4-[2-(4-acetylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471943
4-[2-(4-benzylpiperazin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471388
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 75463672
4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride
CID 120774269
2-(1-hydroxycyclohexyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 111331645
N-[(1-phenylcyclopentyl)methyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78841683
1-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 72935222
1-[4-(2-phenylethyl)piperidin-1-yl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 78842000
4-[2-[[(1S)-1-cyclopropylethyl]-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 52530145
1-(4-methylphenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 99712325
(1-phenylcyclopropyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 33447221

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (CID 78829444) is 4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is O=C(CN1CCC(c2nnc3ccccn23)CC1)N1c2ccccc2NC(=O)C12CCCC2.
What is the InChIKey of 4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is CNVBDMGAHIRSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c32-22(31-20-8-2-1-7-19(20)26-24(33)25(31)12-4-5-13-25)17-29-15-10-18(11-16-29)23-28-27-21-9-3-6-14-30(21)23/h1-3,6-9,14,18H,4-5,10-13,15-17H2,(H,26,33).
What are the key properties of 4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 444.54 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 78829444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).