2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione

C17H16N4O3 — CID 110872640

IUPAC2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCn1cnc2c1CN(C(=O)CN1C(=O)c3ccccc3C1=O)CC2
InChIInChI=1S/C17H16N4O3/c1-19-10-18-13-6-7-20(8-14(13)19)15(22)9-21-16(23)11-4-2-3-5-12(11)17(21)24/h2-5,10H,6-9H2,1H3
InChIKeyPDJDKTIJNXTPDQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.60
Rot. Bonds2

About 2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 110872640) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID110872640
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCn1cnc2c1CN(C(=O)CN1C(=O)c3ccccc3C1=O)CC2
InChIInChI=1S/C17H16N4O3/c1-19-10-18-13-6-7-20(8-14(13)19)15(22)9-21-16(23)11-4-2-3-5-12(11)17(21)24/h2-5,10H,6-9H2,1H3
InChIKeyPDJDKTIJNXTPDQ-UHFFFAOYSA-N
XLogP0.60
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenyl)ethanone
CID 112533024
2-(2-methoxyphenoxy)-1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
CID 110867093
2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 108755633
1-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(4-methylphenoxy)ethanone
CID 110867092
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoindole-1,3-dione
CID 18776691
N-[5-[2-(1,3-dioxoisoindol-2-yl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclobutanecarboxamide
CID 90531211
cyclopropyl-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872601
4-[2-(1,3-dioxoisoindol-2-yl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 108568408
2-[2-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 90508830
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110749728
2-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]isoindole-1,3-dione
CID 90585397
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione (CID 110872640) is 2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione is Cn1cnc2c1CN(C(=O)CN1C(=O)c3ccccc3C1=O)CC2.
What is the InChIKey of 2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is PDJDKTIJNXTPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-19-10-18-13-6-7-20(8-14(13)19)15(22)9-21-16(23)11-4-2-3-5-12(11)17(21)24/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 324.34 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 110872640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).