[5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate

C24H23FN2O5 — CID 67938361

About [5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate

[5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate (PubChem CID 67938361) has the molecular formula C24H23FN2O5 and a molecular weight of 438.46 g/mol. Its IUPAC name is [5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate.

Molecular Properties

• Compound Name: [5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate
• PubChem CID: 67938361
• Molecular Formula: C24H23FN2O5
• Molecular Weight: 438.46 g/mol
• Exact Mass: 438.16
• IUPAC Name: [5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate
• SMILES: COCc1c(OC(=O)OC(C)C)ncc2[nH]c3cccc(OCc4ccccc4F)c3c12
• InChI: InChI=1S/C24H23FN2O5/c1-14(2)31-24(28)32-23-16(13-29-3)21-19(11-26-23)27-18-9-6-10-20(22(18)21)30-12-15-7-4-5-8-17(15)25/h4-11,14,27H,12-13H2,1-3H3
• InChIKey: ZAECUUWCIGSLCB-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 82.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.46
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate?

The IUPAC name of [5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate (CID 67938361) is [5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate.

What is the SMILES notation for [5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate?

The canonical SMILES for [5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate is COCc1c(OC(=O)OC(C)C)ncc2[nH]c3cccc(OCc4ccccc4F)c3c12.

What is the InChIKey of [5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate?

The InChIKey is ZAECUUWCIGSLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O5/c1-14(2)31-24(28)32-23-16(13-29-3)21-19(11-26-23)27-18-9-6-10-20(22(18)21)30-12-15-7-4-5-8-17(15)25/h4-11,14,27H,12-13H2,1-3H3.

What are the key properties of [5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate?

[5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate has a molecular weight of 438.46 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(2-fluorophenyl)methoxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indol-3-yl] propan-2-yl carbonate is sourced from PubChem (CID 67938361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).