3-[1-(3-imidazol-1-ylpropyl)-6-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione

C26H23N7O2 — CID 155538180

IUPAC3-[1-(3-imidazol-1-ylpropyl)-6-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCc1ccc2c(C3=C(c4nn(C)c5ncccc45)C(=O)NC3=O)cn(CCCn3ccnc3)c2c1
InChIInChI=1S/C26H23N7O2/c1-16-6-7-17-19(14-33(20(17)13-16)11-4-10-32-12-9-27-15-32)21-22(26(35)29-25(21)34)23-18-5-3-8-28-24(18)31(2)30-23/h3,5-9,12-15H,4,10-11H2,1-2H3,(H,29,34,35)
InChIKeyHIDXSOQYNFDZGM-UHFFFAOYSA-N
MW465.52 g/mol
LogP3.09
Rot. Bonds6

About 3-[1-(3-imidazol-1-ylpropyl)-6-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione

3-[1-(3-imidazol-1-ylpropyl)-6-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione (PubChem CID 155538180) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 3-[1-(3-imidazol-1-ylpropyl)-6-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)-6-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
PubChem CID155538180
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC Name3-[1-(3-imidazol-1-ylpropyl)-6-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCc1ccc2c(C3=C(c4nn(C)c5ncccc45)C(=O)NC3=O)cn(CCCn3ccnc3)c2c1
InChIInChI=1S/C26H23N7O2/c1-16-6-7-17-19(14-33(20(17)13-16)11-4-10-32-12-9-27-15-32)21-22(26(35)29-25(21)34)23-18-5-3-8-28-24(18)31(2)30-23/h3,5-9,12-15H,4,10-11H2,1-2H3,(H,29,34,35)
InChIKeyHIDXSOQYNFDZGM-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)-6-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)-6-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione (CID 155538180) is 3-[1-(3-imidazol-1-ylpropyl)-6-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)-6-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)-6-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione is Cc1ccc2c(C3=C(c4nn(C)c5ncccc45)C(=O)NC3=O)cn(CCCn3ccnc3)c2c1.
What is the InChIKey of 3-[1-(3-imidazol-1-ylpropyl)-6-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione?
The InChIKey is HIDXSOQYNFDZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-16-6-7-17-19(14-33(20(17)13-16)11-4-10-32-12-9-27-15-32)21-22(26(35)29-25(21)34)23-18-5-3-8-28-24(18)31(2)30-23/h3,5-9,12-15H,4,10-11H2,1-2H3,(H,29,34,35).
What are the key properties of 3-[1-(3-imidazol-1-ylpropyl)-6-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione?
3-[1-(3-imidazol-1-ylpropyl)-6-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)-6-methylindol-3-yl]-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 155538180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).