3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione

C21H17N5O2 — CID 155809190

IUPAC3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCCn1cc(C2=C(c3cn(C)c4ncccc34)C(=O)NC2=O)c2cccnc21
InChIInChI=1S/C21H17N5O2/c1-3-26-11-15(13-7-5-9-23-19(13)26)17-16(20(27)24-21(17)28)14-10-25(2)18-12(14)6-4-8-22-18/h4-11H,3H2,1-2H3,(H,24,27,28)
InChIKeyKOVVIDFYZMWCKQ-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.51
Rot. Bonds3

About 3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione

3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione (PubChem CID 155809190) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione
PubChem CID155809190
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCCn1cc(C2=C(c3cn(C)c4ncccc34)C(=O)NC2=O)c2cccnc21
InChIInChI=1S/C21H17N5O2/c1-3-26-11-15(13-7-5-9-23-19(13)26)17-16(20(27)24-21(17)28)14-10-25(2)18-12(14)6-4-8-22-18/h4-11H,3H2,1-2H3,(H,24,27,28)
InChIKeyKOVVIDFYZMWCKQ-UHFFFAOYSA-N
XLogP2.51
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.51
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-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione (CID 155809190) is 3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione is CCn1cc(C2=C(c3cn(C)c4ncccc34)C(=O)NC2=O)c2cccnc21.
What is the InChIKey of 3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione?
The InChIKey is KOVVIDFYZMWCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-3-26-11-15(13-7-5-9-23-19(13)26)17-16(20(27)24-21(17)28)14-10-25(2)18-12(14)6-4-8-22-18/h4-11H,3H2,1-2H3,(H,24,27,28).
What are the key properties of 3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione?
3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione has a molecular weight of 371.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 155809190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).