3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione

C12H13N5O2 — CID 79293491

IUPAC3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione
SMILESCc1ccnc2c1nc(N)n2C1CC(=O)N(C)C1=O
InChIInChI=1S/C12H13N5O2/c1-6-3-4-14-10-9(6)15-12(13)17(10)7-5-8(18)16(2)11(7)19/h3-4,7H,5H2,1-2H3,(H2,13,15)
InChIKeyOSLPNNPFRWZMNW-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.25
Rot. Bonds1

About 3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione

3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione (PubChem CID 79293491) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione
PubChem CID79293491
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione
SMILESCc1ccnc2c1nc(N)n2C1CC(=O)N(C)C1=O
InChIInChI=1S/C12H13N5O2/c1-6-3-4-14-10-9(6)15-12(13)17(10)7-5-8(18)16(2)11(7)19/h3-4,7H,5H2,1-2H3,(H2,13,15)
InChIKeyOSLPNNPFRWZMNW-UHFFFAOYSA-N
XLogP0.25
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione (CID 79293491) is 3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione is Cc1ccnc2c1nc(N)n2C1CC(=O)N(C)C1=O.
What is the InChIKey of 3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is OSLPNNPFRWZMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-6-3-4-14-10-9(6)15-12(13)17(10)7-5-8(18)16(2)11(7)19/h3-4,7H,5H2,1-2H3,(H2,13,15).
What are the key properties of 3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione?
3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 259.27 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-7-methylimidazo[4,5-b]pyridin-3-yl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 79293491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).