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

C25H24FNO4 — CID 2017902

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

(1R)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2017902) has the molecular formula C25H24FNO4 and a molecular weight of 421.47 g/mol. Its IUPAC name is (1R)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1R)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 2017902
• Molecular Formula: C25H24FNO4
• Molecular Weight: 421.47 g/mol
• Exact Mass: 421.17
• IUPAC Name: (1R)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CC(C)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1
• InChI: InChI=1S/C25H24FNO4/c1-14(2)15-5-7-16(8-6-15)22-21-23(28)19-12-17(26)9-10-20(19)31-24(21)25(29)27(22)13-18-4-3-11-30-18/h5-10,12,14,18,22H,3-4,11,13H2,1-2H3/t18-,22+/m0/s1
• InChIKey: KIWVVNZGWKXGME-PGRDOPGGSA-N
• XLogP: 4.78
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.47
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (1R)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2017902) is (1R)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for (1R)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1.

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

The InChIKey is KIWVVNZGWKXGME-PGRDOPGGSA-N. The full InChI is InChI=1S/C25H24FNO4/c1-14(2)15-5-7-16(8-6-15)22-21-23(28)19-12-17(26)9-10-20(19)31-24(21)25(29)27(22)13-18-4-3-11-30-18/h5-10,12,14,18,22H,3-4,11,13H2,1-2H3/t18-,22+/m0/s1.

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

(1R)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 421.47 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2017902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).