2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione

C33H23N5O2 — CID 67014083

IUPAC2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCn1cc2c(-c3ccccc3)c(-c3ccncc3)c(-c3ccccc3)nc2n1
InChIInChI=1S/C33H23N5O2/c39-32-25-13-7-8-14-26(25)33(40)38(32)20-19-37-21-27-28(22-9-3-1-4-10-22)29(23-15-17-34-18-16-23)30(35-31(27)36-37)24-11-5-2-6-12-24/h1-18,21H,19-20H2
InChIKeyTUOIHDOULBOHNE-UHFFFAOYSA-N
MW521.58 g/mol
LogP6.12
Rot. Bonds6

About 2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione

2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione (PubChem CID 67014083) has the molecular formula C33H23N5O2 and a molecular weight of 521.58 g/mol. Its IUPAC name is 2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione
PubChem CID67014083
Molecular FormulaC33H23N5O2
Molecular Weight521.58 g/mol
Exact Mass521.19
IUPAC Name2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCn1cc2c(-c3ccccc3)c(-c3ccncc3)c(-c3ccccc3)nc2n1
InChIInChI=1S/C33H23N5O2/c39-32-25-13-7-8-14-26(25)33(40)38(32)20-19-37-21-27-28(22-9-3-1-4-10-22)29(23-15-17-34-18-16-23)30(35-31(27)36-37)24-11-5-2-6-12-24/h1-18,21H,19-20H2
InChIKeyTUOIHDOULBOHNE-UHFFFAOYSA-N
XLogP6.12
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.58
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione (CID 67014083) is 2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCn1cc2c(-c3ccccc3)c(-c3ccncc3)c(-c3ccccc3)nc2n1.
What is the InChIKey of 2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione?
The InChIKey is TUOIHDOULBOHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N5O2/c39-32-25-13-7-8-14-26(25)33(40)38(32)20-19-37-21-27-28(22-9-3-1-4-10-22)29(23-15-17-34-18-16-23)30(35-31(27)36-37)24-11-5-2-6-12-24/h1-18,21H,19-20H2.
What are the key properties of 2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione?
2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione has a molecular weight of 521.58 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 67014083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).