2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione

C34H23F2N5O2 — CID 67013626

IUPAC2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C34H23F2N5O2/c35-24-10-6-21(7-11-24)29-28-20-40(18-3-19-41-33(42)26-4-1-2-5-27(26)34(41)43)39-32(28)38-31(23-8-12-25(36)13-9-23)30(29)22-14-16-37-17-15-22/h1-2,4-17,20H,3,18-19H2
InChIKeyBUCQLBPWGQYOIH-UHFFFAOYSA-N
MW571.59 g/mol
LogP6.79
Rot. Bonds7

About 2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione

2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione (PubChem CID 67013626) has the molecular formula C34H23F2N5O2 and a molecular weight of 571.59 g/mol. Its IUPAC name is 2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione
PubChem CID67013626
Molecular FormulaC34H23F2N5O2
Molecular Weight571.59 g/mol
Exact Mass571.18
IUPAC Name2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C34H23F2N5O2/c35-24-10-6-21(7-11-24)29-28-20-40(18-3-19-41-33(42)26-4-1-2-5-27(26)34(41)43)39-32(28)38-31(23-8-12-25(36)13-9-23)30(29)22-14-16-37-17-15-22/h1-2,4-17,20H,3,18-19H2
InChIKeyBUCQLBPWGQYOIH-UHFFFAOYSA-N
XLogP6.79
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.59
LogP ≤ 56.79
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-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione (CID 67013626) is 2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1.
What is the InChIKey of 2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione?
The InChIKey is BUCQLBPWGQYOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23F2N5O2/c35-24-10-6-21(7-11-24)29-28-20-40(18-3-19-41-33(42)26-4-1-2-5-27(26)34(41)43)39-32(28)38-31(23-8-12-25(36)13-9-23)30(29)22-14-16-37-17-15-22/h1-2,4-17,20H,3,18-19H2.
What are the key properties of 2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione?
2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione has a molecular weight of 571.59 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 67013626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).