4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide

C20H28N6O2 — CID 53204310

IUPAC4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESO=C(CCC(=O)N1CCN(C2CCCCC2)CC1)Nc1nnc2ccccn12
InChIInChI=1S/C20H28N6O2/c27-18(21-20-23-22-17-8-4-5-11-26(17)20)9-10-19(28)25-14-12-24(13-15-25)16-6-2-1-3-7-16/h4-5,8,11,16H,1-3,6-7,9-10,12-15H2,(H,21,23,27)
InChIKeyCXLFDDXFUNCYRD-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.92
Rot. Bonds5

About 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide

4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (PubChem CID 53204310) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
PubChem CID53204310
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESO=C(CCC(=O)N1CCN(C2CCCCC2)CC1)Nc1nnc2ccccn12
InChIInChI=1S/C20H28N6O2/c27-18(21-20-23-22-17-8-4-5-11-26(17)20)9-10-19(28)25-14-12-24(13-15-25)16-6-2-1-3-7-16/h4-5,8,11,16H,1-3,6-7,9-10,12-15H2,(H,21,23,27)
InChIKeyCXLFDDXFUNCYRD-UHFFFAOYSA-N
XLogP1.92
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide with MolForge

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Related Compounds

4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204318
4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204321
4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204329
3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 38999513
2-(1-hydroxycyclopentyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 111536814
4-(methylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide;dihydrochloride
CID 119856894
2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 53204392
3-cyclopentyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 53203453
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide;dihydrochloride
CID 119856904
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 95932644
N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide
CID 53204352
N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxolane-2-carboxamide
CID 53204396

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The IUPAC name of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (CID 53204310) is 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.
What is the SMILES notation for 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The canonical SMILES for 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is O=C(CCC(=O)N1CCN(C2CCCCC2)CC1)Nc1nnc2ccccn12.
What is the InChIKey of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The InChIKey is CXLFDDXFUNCYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c27-18(21-20-23-22-17-8-4-5-11-26(17)20)9-10-19(28)25-14-12-24(13-15-25)16-6-2-1-3-7-16/h4-5,8,11,16H,1-3,6-7,9-10,12-15H2,(H,21,23,27).
What are the key properties of 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide has a molecular weight of 384.48 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylpiperazin-1-yl)-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is sourced from PubChem (CID 53204310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).