3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione

C25H19N5O3 — CID 118704643

IUPAC3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1c1coc2ncccc12
InChIInChI=1S/C25H19N5O3/c31-23-21(22(24(32)28-23)19-14-33-25-17(19)6-3-8-27-25)18-13-30(20-7-2-1-5-16(18)20)11-4-10-29-12-9-26-15-29/h1-3,5-9,12-15H,4,10-11H2,(H,28,31,32)
InChIKeyMHIHFTFFTDQVFQ-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.64
Rot. Bonds6

About 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione

3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 118704643) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
PubChem CID118704643
Molecular FormulaC25H19N5O3
Molecular Weight437.46 g/mol
Exact Mass437.15
IUPAC Name3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1c1coc2ncccc12
InChIInChI=1S/C25H19N5O3/c31-23-21(22(24(32)28-23)19-14-33-25-17(19)6-3-8-27-25)18-13-30(20-7-2-1-5-16(18)20)11-4-10-29-12-9-26-15-29/h1-3,5-9,12-15H,4,10-11H2,(H,28,31,32)
InChIKeyMHIHFTFFTDQVFQ-UHFFFAOYSA-N
XLogP3.64
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione (CID 118704643) is 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1c1coc2ncccc12.
What is the InChIKey of 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is MHIHFTFFTDQVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3/c31-23-21(22(24(32)28-23)19-14-33-25-17(19)6-3-8-27-25)18-13-30(20-7-2-1-5-16(18)20)11-4-10-29-12-9-26-15-29/h1-3,5-9,12-15H,4,10-11H2,(H,28,31,32).
What are the key properties of 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 437.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-furo[2,3-b]pyridin-3-yl-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 118704643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).