[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol

C21H27FN2O3 — CID 137340809

About [2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol

[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 137340809) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is [2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

• Compound Name: [2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
• PubChem CID: 137340809
• Molecular Formula: C21H27FN2O3
• Molecular Weight: 374.46 g/mol
• Exact Mass: 374.20
• IUPAC Name: [2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
• SMILES: COc1cc(CN2CC3CN(Cc4ccc(C)o4)CC3(CO)C2)ccc1F
• InChI: InChI=1S/C21H27FN2O3/c1-15-3-5-18(27-15)11-24-10-17-9-23(12-21(17,13-24)14-25)8-16-4-6-19(22)20(7-16)26-2/h3-7,17,25H,8-14H2,1-2H3
• InChIKey: ZIAYOFTVBUPCDH-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 49.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.46
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?

The IUPAC name of [2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol (CID 137340809) is [2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol.

What is the SMILES notation for [2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?

The canonical SMILES for [2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol is COc1cc(CN2CC3CN(Cc4ccc(C)o4)CC3(CO)C2)ccc1F.

What is the InChIKey of [2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?

The InChIKey is ZIAYOFTVBUPCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-15-3-5-18(27-15)11-24-10-17-9-23(12-21(17,13-24)14-25)8-16-4-6-19(22)20(7-16)26-2/h3-7,17,25H,8-14H2,1-2H3.

What are the key properties of [2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?

[2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 374.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(4-fluoro-3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 137340809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).