2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

C24H22N4O3 — CID 92738385

IUPAC2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1cccn2c(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c(-c3ccccc3)nc12
InChIInChI=1S/C24H22N4O3/c1-15-8-7-13-27-21(15)26-20(16-9-3-2-4-10-16)22(27)25-19(29)14-28-23(30)17-11-5-6-12-18(17)24(28)31/h2-10,13,17-18H,11-12,14H2,1H3,(H,25,29)/t17-,18-/m1/s1
InChIKeyUXJRZBCMKQKZJM-QZTJIDSGSA-N
MW414.47 g/mol
LogP3.20
Rot. Bonds4

About 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 92738385) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID92738385
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1cccn2c(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c(-c3ccccc3)nc12
InChIInChI=1S/C24H22N4O3/c1-15-8-7-13-27-21(15)26-20(16-9-3-2-4-10-16)22(27)25-19(29)14-28-23(30)17-11-5-6-12-18(17)24(28)31/h2-10,13,17-18H,11-12,14H2,1H3,(H,25,29)/t17-,18-/m1/s1
InChIKeyUXJRZBCMKQKZJM-QZTJIDSGSA-N
XLogP3.20
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 31929401
3-cyclopentyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 16559332
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
CID 18282898
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94092022
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 51513965
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55756203
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 25341536
2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(4-phenylphenyl)acetamide
CID 7831659
2-(2-fluorophenoxy)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 40656268
ethyl 2-[[2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16566717
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55540978
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112844900

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 92738385) is 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is Cc1cccn2c(NC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c(-c3ccccc3)nc12.
What is the InChIKey of 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is UXJRZBCMKQKZJM-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-15-8-7-13-27-21(15)26-20(16-9-3-2-4-10-16)22(27)25-19(29)14-28-23(30)17-11-5-6-12-18(17)24(28)31/h2-10,13,17-18H,11-12,14H2,1H3,(H,25,29)/t17-,18-/m1/s1.
What are the key properties of 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 414.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 92738385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).