7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H19FN2O3 — CID 4708906

About 7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4708906) has the molecular formula C25H19FN2O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is 7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4708906
• Molecular Formula: C25H19FN2O3
• Molecular Weight: 414.44 g/mol
• Exact Mass: 414.14
• IUPAC Name: 7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CC(C)c1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)cc1
• InChI: InChI=1S/C25H19FN2O3/c1-14(2)15-6-8-16(9-7-15)22-21-23(29)18-13-17(26)10-11-19(18)31-24(21)25(30)28(22)20-5-3-4-12-27-20/h3-14,22H,1-2H3
• InChIKey: YIHHEGNXGPOEIZ-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 63.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.44
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4708906) is 7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)c1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)cc1.

What is the InChIKey of 7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is YIHHEGNXGPOEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O3/c1-14(2)15-6-8-16(9-7-15)22-21-23(29)18-13-17(26)10-11-19(18)31-24(21)25(30)28(22)20-5-3-4-12-27-20/h3-14,22H,1-2H3.

What are the key properties of 7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 414.44 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4708906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).