3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione

C11H9N5O2 — CID 177168138

IUPAC3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc3cn[nH]c3n2)C1=O
InChIInChI=1S/C11H9N5O2/c1-6-4-9(17)16(11(6)18)15-8-3-2-7-5-12-14-10(7)13-8/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyUQXNFXHWURVQLX-UHFFFAOYSA-N
MW243.23 g/mol
LogP0.60
Rot. Bonds2

About 3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione

3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione (PubChem CID 177168138) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione
PubChem CID177168138
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2ccc3cn[nH]c3n2)C1=O
InChIInChI=1S/C11H9N5O2/c1-6-4-9(17)16(11(6)18)15-8-3-2-7-5-12-14-10(7)13-8/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyUQXNFXHWURVQLX-UHFFFAOYSA-N
XLogP0.60
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione (CID 177168138) is 3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione is CC1=CC(=O)N(Nc2ccc3cn[nH]c3n2)C1=O.
What is the InChIKey of 3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione?
The InChIKey is UQXNFXHWURVQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-6-4-9(17)16(11(6)18)15-8-3-2-7-5-12-14-10(7)13-8/h2-5H,1H3,(H2,12,13,14,15).
What are the key properties of 3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione?
3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione has a molecular weight of 243.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1H-pyrazolo[5,4-b]pyridin-6-ylamino)pyrrole-2,5-dione is sourced from PubChem (CID 177168138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).