7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H25FN2O4 — CID 18820853

About 7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18820853) has the molecular formula C28H25FN2O4 and a molecular weight of 472.52 g/mol. Its IUPAC name is 7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18820853
• Molecular Formula: C28H25FN2O4
• Molecular Weight: 472.52 g/mol
• Exact Mass: 472.18
• IUPAC Name: 7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCCCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1
• InChI: InChI=1S/C28H25FN2O4/c1-3-4-5-13-34-20-8-6-7-18(15-20)25-24-26(32)21-16-19(29)9-10-22(21)35-27(24)28(33)31(25)23-14-17(2)11-12-30-23/h6-12,14-16,25H,3-5,13H2,1-2H3
• InChIKey: MPWMBCVEDUSXLM-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 72.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.52
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18820853) is 7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1.

What is the InChIKey of 7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is MPWMBCVEDUSXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O4/c1-3-4-5-13-34-20-8-6-7-18(15-20)25-24-26(32)21-16-19(29)9-10-22(21)35-27(24)28(33)31(25)23-14-17(2)11-12-30-23/h6-12,14-16,25H,3-5,13H2,1-2H3.

What are the key properties of 7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 472.52 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-2-(4-methyl-2-pyridinyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18820853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).