3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione

C18H11N5O2 — CID 67082315

IUPAC3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cc3cccnc3[nH]2)=C1c1cc2cccnc2[nH]1
InChIInChI=1S/C18H11N5O2/c24-17-13(11-7-9-3-1-5-19-15(9)21-11)14(18(25)23-17)12-8-10-4-2-6-20-16(10)22-12/h1-8H,(H,19,21)(H,20,22)(H,23,24,25)
InChIKeyIMCMOBYGKAJDGW-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.01
Rot. Bonds2

About 3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione

3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione (PubChem CID 67082315) has the molecular formula C18H11N5O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione
PubChem CID67082315
Molecular FormulaC18H11N5O2
Molecular Weight329.32 g/mol
Exact Mass329.09
IUPAC Name3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cc3cccnc3[nH]2)=C1c1cc2cccnc2[nH]1
InChIInChI=1S/C18H11N5O2/c24-17-13(11-7-9-3-1-5-19-15(9)21-11)14(18(25)23-17)12-8-10-4-2-6-20-16(10)22-12/h1-8H,(H,19,21)(H,20,22)(H,23,24,25)
InChIKeyIMCMOBYGKAJDGW-UHFFFAOYSA-N
XLogP2.01
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione (CID 67082315) is 3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2cc3cccnc3[nH]2)=C1c1cc2cccnc2[nH]1.
What is the InChIKey of 3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione?
The InChIKey is IMCMOBYGKAJDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5O2/c24-17-13(11-7-9-3-1-5-19-15(9)21-11)14(18(25)23-17)12-8-10-4-2-6-20-16(10)22-12/h1-8H,(H,19,21)(H,20,22)(H,23,24,25).
What are the key properties of 3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione?
3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione has a molecular weight of 329.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 67082315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).