2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione

C27H17FN4O2 — CID 10160947

IUPAC2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1
InChIInChI=1S/C27H17FN4O2/c28-20-7-5-19(6-8-20)25-24(18-9-12-29-13-10-18)23-15-17(11-14-32(23)30-25)16-31-26(33)21-3-1-2-4-22(21)27(31)34/h1-15H,16H2
InChIKeyFMNUUUBCNSLTPR-UHFFFAOYSA-N
MW448.46 g/mol
LogP5.00
Rot. Bonds4

About 2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione

2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione (PubChem CID 10160947) has the molecular formula C27H17FN4O2 and a molecular weight of 448.46 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione
PubChem CID10160947
Molecular FormulaC27H17FN4O2
Molecular Weight448.46 g/mol
Exact Mass448.13
IUPAC Name2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1
InChIInChI=1S/C27H17FN4O2/c28-20-7-5-19(6-8-20)25-24(18-9-12-29-13-10-18)23-15-17(11-14-32(23)30-25)16-31-26(33)21-3-1-2-4-22(21)27(31)34/h1-15H,16H2
InChIKeyFMNUUUBCNSLTPR-UHFFFAOYSA-N
XLogP5.00
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione (CID 10160947) is 2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2c1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione?
The InChIKey is FMNUUUBCNSLTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN4O2/c28-20-7-5-19(6-8-20)25-24(18-9-12-29-13-10-18)23-15-17(11-14-32(23)30-25)16-31-26(33)21-3-1-2-4-22(21)27(31)34/h1-15H,16H2.
What are the key properties of 2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione?
2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione has a molecular weight of 448.46 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 10160947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).