2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C22H24N6O2 — CID 71707056

IUPAC2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCC(C)Cn1nc(CC(=O)NCCc2nnc3ccccn23)c2ccccc2c1=O
InChIInChI=1S/C22H24N6O2/c1-15(2)14-28-22(30)17-8-4-3-7-16(17)18(26-28)13-21(29)23-11-10-20-25-24-19-9-5-6-12-27(19)20/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,23,29)
InChIKeyJPDXGIIDMDGLLB-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.00
Rot. Bonds7

About 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 71707056) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID71707056
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESCC(C)Cn1nc(CC(=O)NCCc2nnc3ccccn23)c2ccccc2c1=O
InChIInChI=1S/C22H24N6O2/c1-15(2)14-28-22(30)17-8-4-3-7-16(17)18(26-28)13-21(29)23-11-10-20-25-24-19-9-5-6-12-27(19)20/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,23,29)
InChIKeyJPDXGIIDMDGLLB-UHFFFAOYSA-N
XLogP2.00
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91772735
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
2-(6-oxo-3-phenylpyridazin-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 71706477
2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide
CID 71700960
2-(4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 27161874
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-3-carboxamide
CID 46516662
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 112836964
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 36999930
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]acetamide
CID 99797244
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 23474347
(2R)-3-methyl-2-[(2-phenylacetyl)amino]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51923704

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 71707056) is 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is CC(C)Cn1nc(CC(=O)NCCc2nnc3ccccn23)c2ccccc2c1=O.
What is the InChIKey of 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is JPDXGIIDMDGLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-15(2)14-28-22(30)17-8-4-3-7-16(17)18(26-28)13-21(29)23-11-10-20-25-24-19-9-5-6-12-27(19)20/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,23,29).
What are the key properties of 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 71707056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).