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

C20H17N5O4 — CID 177241069

IUPAC3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1ccc2[nH]c(-c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)nc2n1
InChIInChI=1S/C20H17N5O4/c1-29-16-7-4-13-18(23-16)24-17(21-13)10-2-3-11-9-25(20(28)12(11)8-10)14-5-6-15(26)22-19(14)27/h2-4,7-8,14H,5-6,9H2,1H3,(H,21,23,24)(H,22,26,27)
InChIKeyZPPASYVEGHEJNU-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.39
Rot. Bonds3

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

3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177241069) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID177241069
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCOc1ccc2[nH]c(-c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)nc2n1
InChIInChI=1S/C20H17N5O4/c1-29-16-7-4-13-18(23-16)24-17(21-13)10-2-3-11-9-25(20(28)12(11)8-10)14-5-6-15(26)22-19(14)27/h2-4,7-8,14H,5-6,9H2,1H3,(H,21,23,24)(H,22,26,27)
InChIKeyZPPASYVEGHEJNU-UHFFFAOYSA-N
XLogP1.39
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-oxo-5-(6-propan-2-yloxypyrazin-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166427130
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
3-[5-(1H-indazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241351
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045
3-[6-(6-methoxypyridazin-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 167764254
3-[5-[3-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167755691
3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
3-[5-[4-[5-(difluoromethyl)-1-methyl-6-oxo-3-pyridinyl]-2,6-dimethoxyphenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 164844133
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118647025
3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154670624

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177241069) is 3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1ccc2[nH]c(-c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)nc2n1.
What is the InChIKey of 3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ZPPASYVEGHEJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-29-16-7-4-13-18(23-16)24-17(21-13)10-2-3-11-9-25(20(28)12(11)8-10)14-5-6-15(26)22-19(14)27/h2-4,7-8,14H,5-6,9H2,1H3,(H,21,23,24)(H,22,26,27).
What are the key properties of 3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 391.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177241069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).