2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one

C25H20N4O2 — CID 71149417

IUPAC2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one
SMILESO=C1Cc2ccc(-c3cccc4c3C(=O)N(CCc3cn5ccccc5n3)C4)cc2N1
InChIInChI=1S/C25H20N4O2/c30-23-13-17-8-7-16(12-21(17)27-23)20-5-3-4-18-14-29(25(31)24(18)20)11-9-19-15-28-10-2-1-6-22(28)26-19/h1-8,10,12,15H,9,11,13-14H2,(H,27,30)
InChIKeySBZBVRCVMWNRNZ-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.69
Rot. Bonds4

About 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one

2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one (PubChem CID 71149417) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one
PubChem CID71149417
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one
SMILESO=C1Cc2ccc(-c3cccc4c3C(=O)N(CCc3cn5ccccc5n3)C4)cc2N1
InChIInChI=1S/C25H20N4O2/c30-23-13-17-8-7-16(12-21(17)27-23)20-5-3-4-18-14-29(25(31)24(18)20)11-9-19-15-28-10-2-1-6-22(28)26-19/h1-8,10,12,15H,9,11,13-14H2,(H,27,30)
InChIKeySBZBVRCVMWNRNZ-UHFFFAOYSA-N
XLogP3.69
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-morpholin-4-yl-3H-isoindol-1-one
CID 71149247
4-fluoro-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-pyrimidin-5-yl-3H-isoindol-1-one
CID 71149571
7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 141362065
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204
3-(1,3-dioxoisoindol-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)propanamide
CID 8917053
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 9185264
6-[3-oxo-2-(2-quinolin-2-ylethyl)-1H-isoindol-4-yl]-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 136618015
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64879027
5-(3-aminoimidazo[1,2-a]pyridin-2-yl)-1,3-dihydroindol-2-one
CID 82355772
6-(2,3-dimethoxyphenyl)-1,3-dihydroindol-2-one
CID 90833964
7-isoquinolin-4-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149889
7-bromo-2-(2-thieno[3,2-b]pyridin-5-ylethyl)-3H-isoindol-1-one;7-(4-fluorophenyl)-2-(2-thieno[3,2-b]pyridin-5-ylethyl)-3H-isoindol-1-one
CID 159203285

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one?
The IUPAC name of 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one (CID 71149417) is 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one?
The canonical SMILES for 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one is O=C1Cc2ccc(-c3cccc4c3C(=O)N(CCc3cn5ccccc5n3)C4)cc2N1.
What is the InChIKey of 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one?
The InChIKey is SBZBVRCVMWNRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-23-13-17-8-7-16(12-21(17)27-23)20-5-3-4-18-14-29(25(31)24(18)20)11-9-19-15-28-10-2-1-6-22(28)26-19/h1-8,10,12,15H,9,11,13-14H2,(H,27,30).
What are the key properties of 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one?
2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one has a molecular weight of 408.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-7-(2-oxo-1,3-dihydroindol-6-yl)-3H-isoindol-1-one is sourced from PubChem (CID 71149417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).