3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C21H20N6O3 — CID 166174017

IUPAC3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCNc1nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc2c1ncn2C
InChIInChI=1S/C21H20N6O3/c1-22-19-18-16(26(2)10-23-18)8-14(24-19)11-3-4-13-12(7-11)9-27(21(13)30)15-5-6-17(28)25-20(15)29/h3-4,7-8,10,15H,5-6,9H2,1-2H3,(H,22,24)(H,25,28,29)
InChIKeyKPAHKZXKSXJDNA-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.44
Rot. Bonds3

About 3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166174017) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID166174017
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCNc1nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc2c1ncn2C
InChIInChI=1S/C21H20N6O3/c1-22-19-18-16(26(2)10-23-18)8-14(24-19)11-3-4-13-12(7-11)9-27(21(13)30)15-5-6-17(28)25-20(15)29/h3-4,7-8,10,15H,5-6,9H2,1-2H3,(H,22,24)(H,25,28,29)
InChIKeyKPAHKZXKSXJDNA-UHFFFAOYSA-N
XLogP1.44
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[1-methyl-5-(3-methylbenzimidazol-5-yl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075395
3-[6-[1-methyl-2-(4-methylcyclohexyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577588
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-[6-[5-(2,5-dimethylpyrazol-3-yl)-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577392
(3S)-3-[6-(1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156867503
3-[6-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577605
3-[6-[1-methyl-2-(1,3-thiazol-4-yl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075983
3-(6-imidazo[1,2-a]pyrazin-6-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 177241125
3-[6-[1-methyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075168
3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167929770
methyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methylpyridine-3-carboxylate
CID 167906136
3-[6-[2-(2-fluorophenyl)-1-methylimidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075791

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166174017) is 3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CNc1nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc2c1ncn2C.
What is the InChIKey of 3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is KPAHKZXKSXJDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-22-19-18-16(26(2)10-23-18)8-14(24-19)11-3-4-13-12(7-11)9-27(21(13)30)15-5-6-17(28)25-20(15)29/h3-4,7-8,10,15H,5-6,9H2,1-2H3,(H,22,24)(H,25,28,29).
What are the key properties of 3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 404.43 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-methyl-4-(methylamino)imidazo[4,5-c]pyridin-6-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166174017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).