(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate

C20H17N3O4 — CID 9380576

IUPAC(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate
SMILESCc1ccc2nc(COC(=O)CN3C(=O)Cc4ccccc4C3=O)cn2c1
InChIInChI=1S/C20H17N3O4/c1-13-6-7-17-21-15(10-22(17)9-13)12-27-19(25)11-23-18(24)8-14-4-2-3-5-16(14)20(23)26/h2-7,9-10H,8,11-12H2,1H3
InChIKeyDAPKDVCJYPTABD-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.91
Rot. Bonds4

About (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate

(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate (PubChem CID 9380576) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate.

Molecular Properties

Compound Name(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate
PubChem CID9380576
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate
SMILESCc1ccc2nc(COC(=O)CN3C(=O)Cc4ccccc4C3=O)cn2c1
InChIInChI=1S/C20H17N3O4/c1-13-6-7-17-21-15(10-22(17)9-13)12-27-19(25)11-23-18(24)8-14-4-2-3-5-16(14)20(23)26/h2-7,9-10H,8,11-12H2,1H3
InChIKeyDAPKDVCJYPTABD-UHFFFAOYSA-N
XLogP1.91
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate
CID 9310619
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 9185264
2-(2-oxopropyl)-4H-isoquinoline-1,3-dione
CID 62024142
[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate
CID 8543022
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate
CID 9310620
3-(6-methylimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 4912874
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
CID 55495844
[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl] 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate
CID 8543230
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(1,3-dioxo-4H-isoquinolin-2-yl)acetohydrazide
CID 9322183
2-(2-aminobutyl)-4H-isoquinoline-1,3-dione
CID 62038047
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-methylindole-3-carboxylate
CID 9380138
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 8521234

Frequently Asked Questions

What is the IUPAC name of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate?
The IUPAC name of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate (CID 9380576) is (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate.
What is the SMILES notation for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate?
The canonical SMILES for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate is Cc1ccc2nc(COC(=O)CN3C(=O)Cc4ccccc4C3=O)cn2c1.
What is the InChIKey of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate?
The InChIKey is DAPKDVCJYPTABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-13-6-7-17-21-15(10-22(17)9-13)12-27-19(25)11-23-18(24)8-14-4-2-3-5-16(14)20(23)26/h2-7,9-10H,8,11-12H2,1H3.
What are the key properties of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate?
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate has a molecular weight of 363.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate is sourced from PubChem (CID 9380576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).