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

C25H24N6O3 — CID 72708899

IUPAC3-(1-methylindol-3-yl)-4-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCN4CCOCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C25H24N6O3/c1-29-15-18(16-5-2-3-7-19(16)29)20-21(25(33)27-24(20)32)22-17-6-4-8-26-23(17)31(28-22)10-9-30-11-13-34-14-12-30/h2-8,15H,9-14H2,1H3,(H,27,32,33)
InChIKeyBDYUCALGCSDPCI-UHFFFAOYSA-N
MW456.51 g/mol
LogP1.82
Rot. Bonds5

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

3-(1-methylindol-3-yl)-4-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione (PubChem CID 72708899) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
PubChem CID72708899
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name3-(1-methylindol-3-yl)-4-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCN4CCOCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C25H24N6O3/c1-29-15-18(16-5-2-3-7-19(16)29)20-21(25(33)27-24(20)32)22-17-6-4-8-26-23(17)31(28-22)10-9-30-11-13-34-14-12-30/h2-8,15H,9-14H2,1H3,(H,27,32,33)
InChIKeyBDYUCALGCSDPCI-UHFFFAOYSA-N
XLogP1.82
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 51.82
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-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione (CID 72708899) is 3-(1-methylindol-3-yl)-4-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione is Cn1cc(C2=C(c3nn(CCN4CCOCC4)c4ncccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The InChIKey is BDYUCALGCSDPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-29-15-18(16-5-2-3-7-19(16)29)20-21(25(33)27-24(20)32)22-17-6-4-8-26-23(17)31(28-22)10-9-30-11-13-34-14-12-30/h2-8,15H,9-14H2,1H3,(H,27,32,33).
What are the key properties of 3-(1-methylindol-3-yl)-4-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-[1-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione has a molecular weight of 456.51 g/mol, XLogP of 1.82, 5 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-(2-morpholin-4-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 72708899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).