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

C24H24N6O2 — CID 45273457

IUPAC3-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CCCn1nc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2cccnc21
InChIInChI=1S/C24H24N6O2/c1-28(2)12-7-13-30-22-16(9-6-11-25-22)21(27-30)20-19(23(31)26-24(20)32)17-14-29(3)18-10-5-4-8-15(17)18/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,26,31,32)
InChIKeyADSAVRZRSHDKDT-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.44
Rot. Bonds6

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

3-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 45273457) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID45273457
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCN(C)CCCn1nc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2cccnc21
InChIInChI=1S/C24H24N6O2/c1-28(2)12-7-13-30-22-16(9-6-11-25-22)21(27-30)20-19(23(31)26-24(20)32)17-14-29(3)18-10-5-4-8-15(17)18/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,26,31,32)
InChIKeyADSAVRZRSHDKDT-UHFFFAOYSA-N
XLogP2.44
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 45273457) is 3-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is CN(C)CCCn1nc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2cccnc21.
What is the InChIKey of 3-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is ADSAVRZRSHDKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-28(2)12-7-13-30-22-16(9-6-11-25-22)21(27-30)20-19(23(31)26-24(20)32)17-14-29(3)18-10-5-4-8-15(17)18/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,26,31,32).
What are the key properties of 3-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 428.50 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)propyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 45273457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).