3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione

C26H23N7O2 — CID 155525540

IUPAC3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCc1cccc2c(C3=C(c4nn(C)c5ncccc45)C(=O)NC3=O)cn(CCCn3ccnc3)c12
InChIInChI=1S/C26H23N7O2/c1-16-6-3-7-17-19(14-33(23(16)17)12-5-11-32-13-10-27-15-32)20-21(26(35)29-25(20)34)22-18-8-4-9-28-24(18)31(2)30-22/h3-4,6-10,13-15H,5,11-12H2,1-2H3,(H,29,34,35)
InChIKeyYTNZMXHFJRDDHI-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.09
Rot. Bonds6

About 3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione

3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione (PubChem CID 155525540) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
PubChem CID155525540
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC Name3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCc1cccc2c(C3=C(c4nn(C)c5ncccc45)C(=O)NC3=O)cn(CCCn3ccnc3)c12
InChIInChI=1S/C26H23N7O2/c1-16-6-3-7-17-19(14-33(23(16)17)12-5-11-32-13-10-27-15-32)20-21(26(35)29-25(20)34)22-18-8-4-9-28-24(18)31(2)30-22/h3-4,6-10,13-15H,5,11-12H2,1-2H3,(H,29,34,35)
InChIKeyYTNZMXHFJRDDHI-UHFFFAOYSA-N
XLogP3.09
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.09
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-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione (CID 155525540) is 3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione is Cc1cccc2c(C3=C(c4nn(C)c5ncccc45)C(=O)NC3=O)cn(CCCn3ccnc3)c12.
What is the InChIKey of 3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione?
The InChIKey is YTNZMXHFJRDDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-16-6-3-7-17-19(14-33(23(16)17)12-5-11-32-13-10-27-15-32)20-21(26(35)29-25(20)34)22-18-8-4-9-28-24(18)31(2)30-22/h3-4,6-10,13-15H,5,11-12H2,1-2H3,(H,29,34,35).
What are the key properties of 3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione?
3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione has a molecular weight of 465.52 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-imidazol-1-ylpropyl)-7-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 155525540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).