(1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H24N2O3 — CID 27308635

About (1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 27308635) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is (1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 27308635
• Molecular Formula: C27H24N2O3
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.18
• IUPAC Name: (1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1
• InChI: InChI=1S/C27H24N2O3/c1-5-18-7-9-19(10-8-18)24-23-25(30)20-12-16(3)17(4)13-21(20)32-26(23)27(31)29(24)22-11-6-15(2)14-28-22/h6-14,24H,5H2,1-4H3/t24-/m1/s1
• InChIKey: IYAYYDPNAUIQSB-XMMPIXPASA-N
• XLogP: 5.43
• TPSA: 63.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of (1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 27308635) is (1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for (1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for (1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1.

What is the InChIKey of (1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is IYAYYDPNAUIQSB-XMMPIXPASA-N. The full InChI is InChI=1S/C27H24N2O3/c1-5-18-7-9-19(10-8-18)24-23-25(30)20-12-16(3)17(4)13-21(20)32-26(23)27(31)29(24)22-11-6-15(2)14-28-22/h6-14,24H,5H2,1-4H3/t24-/m1/s1.

What are the key properties of (1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

(1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 424.50 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-(4-ethylphenyl)-6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 27308635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).