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

C37H34N6O2 — CID 45270890

IUPAC3-(1-methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCCN4CCCCC4)c4ncccc34)C(=O)N(c3cccc4ccccc34)C2=O)c2ccccc21
InChIInChI=1S/C37H34N6O2/c1-40-24-29(27-15-5-6-17-30(27)40)32-33(37(45)43(36(32)44)31-18-9-13-25-12-3-4-14-26(25)31)34-28-16-10-19-38-35(28)42(39-34)23-11-22-41-20-7-2-8-21-41/h3-6,9-10,12-19,24H,2,7-8,11,20-23H2,1H3
InChIKeyFEIOXWASXIIGLN-UHFFFAOYSA-N
MW594.72 g/mol
LogP6.44
Rot. Bonds7

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

3-(1-methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione (PubChem CID 45270890) has the molecular formula C37H34N6O2 and a molecular weight of 594.72 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
PubChem CID45270890
Molecular FormulaC37H34N6O2
Molecular Weight594.72 g/mol
Exact Mass594.27
IUPAC Name3-(1-methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3nn(CCCN4CCCCC4)c4ncccc34)C(=O)N(c3cccc4ccccc34)C2=O)c2ccccc21
InChIInChI=1S/C37H34N6O2/c1-40-24-29(27-15-5-6-17-30(27)40)32-33(37(45)43(36(32)44)31-18-9-13-25-12-3-4-14-26(25)31)34-28-16-10-19-38-35(28)42(39-34)23-11-22-41-20-7-2-8-21-41/h3-6,9-10,12-19,24H,2,7-8,11,20-23H2,1H3
InChIKeyFEIOXWASXIIGLN-UHFFFAOYSA-N
XLogP6.44
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.72
LogP ≤ 56.44
H-Bond Donors ≤ 50
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-methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione (CID 45270890) is 3-(1-methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione is Cn1cc(C2=C(c3nn(CCCN4CCCCC4)c4ncccc34)C(=O)N(c3cccc4ccccc34)C2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
The InChIKey is FEIOXWASXIIGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N6O2/c1-40-24-29(27-15-5-6-17-30(27)40)32-33(37(45)43(36(32)44)31-18-9-13-25-12-3-4-14-26(25)31)34-28-16-10-19-38-35(28)42(39-34)23-11-22-41-20-7-2-8-21-41/h3-6,9-10,12-19,24H,2,7-8,11,20-23H2,1H3.
What are the key properties of 3-(1-methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione has a molecular weight of 594.72 g/mol, XLogP of 6.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 45270890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).