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

C25H20FN7O2 — CID 141451189

IUPAC3-[5-fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCn1nc(C2=C(c3cn(CCCn4ccnc4)c4ccc(F)cc34)C(=O)NC2=O)c2cccnc21
InChIInChI=1S/C25H20FN7O2/c1-31-23-16(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-6-5-15(26)12-17(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)
InChIKeyFTWZOZLWTAXHNG-UHFFFAOYSA-N
MW469.48 g/mol
LogP2.92
Rot. Bonds6

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

3-[5-fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione (PubChem CID 141451189) has the molecular formula C25H20FN7O2 and a molecular weight of 469.48 g/mol. Its IUPAC name is 3-[5-fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[5-fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
PubChem CID141451189
Molecular FormulaC25H20FN7O2
Molecular Weight469.48 g/mol
Exact Mass469.17
IUPAC Name3-[5-fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCn1nc(C2=C(c3cn(CCCn4ccnc4)c4ccc(F)cc34)C(=O)NC2=O)c2cccnc21
InChIInChI=1S/C25H20FN7O2/c1-31-23-16(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-6-5-15(26)12-17(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35)
InChIKeyFTWZOZLWTAXHNG-UHFFFAOYSA-N
XLogP2.92
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[5-fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[5-fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione (CID 141451189) is 3-[5-fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[5-fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[5-fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione is Cn1nc(C2=C(c3cn(CCCn4ccnc4)c4ccc(F)cc34)C(=O)NC2=O)c2cccnc21.
What is the InChIKey of 3-[5-fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione?
The InChIKey is FTWZOZLWTAXHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O2/c1-31-23-16(4-2-7-28-23)22(30-31)21-20(24(34)29-25(21)35)18-13-33(10-3-9-32-11-8-27-14-32)19-6-5-15(26)12-17(18)19/h2,4-8,11-14H,3,9-10H2,1H3,(H,29,34,35).
What are the key properties of 3-[5-fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione?
3-[5-fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione has a molecular weight of 469.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-1-(3-imidazol-1-ylpropyl)indol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 141451189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).