3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione

C26H26N6O3 — CID 45268316

IUPAC3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCCN4CCOCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H26N6O3/c1-30-16-19(17-6-2-3-8-20(17)30)21-22(26(34)28-25(21)33)23-18-7-4-9-27-24(18)32(29-23)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16H,5,10-15H2,1H3,(H,28,33,34)
InChIKeyUQOPLFRRDTXROR-UHFFFAOYSA-N
MW470.53 g/mol
LogP2.21
Rot. Bonds6

About 3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione (PubChem CID 45268316) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
PubChem CID45268316
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCCN4CCOCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H26N6O3/c1-30-16-19(17-6-2-3-8-20(17)30)21-22(26(34)28-25(21)33)23-18-7-4-9-27-24(18)32(29-23)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16H,5,10-15H2,1H3,(H,28,33,34)
InChIKeyUQOPLFRRDTXROR-UHFFFAOYSA-N
XLogP2.21
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 52.21
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-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione (CID 45268316) is 3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione is Cn1cc(C2=C(c3nn(CCCN4CCOCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The InChIKey is UQOPLFRRDTXROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-30-16-19(17-6-2-3-8-20(17)30)21-22(26(34)28-25(21)33)23-18-7-4-9-27-24(18)32(29-23)11-5-10-31-12-14-35-15-13-31/h2-4,6-9,16H,5,10-15H2,1H3,(H,28,33,34).
What are the key properties of 3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione has a molecular weight of 470.53 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 45268316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).