[3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate

C22H23FN2O6 — CID 90995089

IUPAC[3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCCOC(=O)c1cc2occ(CC(C)CCOC(=O)c3[nH]c4ccoc4c3F)c2[nH]1
InChIInChI=1S/C22H23FN2O6/c1-3-6-29-21(26)15-10-16-18(25-15)13(11-31-16)9-12(2)4-7-30-22(27)19-17(23)20-14(24-19)5-8-28-20/h5,8,10-12,24-25H,3-4,6-7,9H2,1-2H3
InChIKeyGDYMEGULBNTUNI-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.97
Rot. Bonds9

About [3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate

[3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 90995089) has the molecular formula C22H23FN2O6 and a molecular weight of 430.43 g/mol. Its IUPAC name is [3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID90995089
Molecular FormulaC22H23FN2O6
Molecular Weight430.43 g/mol
Exact Mass430.15
IUPAC Name[3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCCOC(=O)c1cc2occ(CC(C)CCOC(=O)c3[nH]c4ccoc4c3F)c2[nH]1
InChIInChI=1S/C22H23FN2O6/c1-3-6-29-21(26)15-10-16-18(25-15)13(11-31-16)9-12(2)4-7-30-22(27)19-17(23)20-14(24-19)5-8-28-20/h5,8,10-12,24-25H,3-4,6-7,9H2,1-2H3
InChIKeyGDYMEGULBNTUNI-UHFFFAOYSA-N
XLogP4.97
TPSA110.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 5082263
3-(2-phenylethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 44623061
2-Phenyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 343030
methyl 4-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011014
4-(4-Fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438681
Methyl 4-[2-(3-ethylanilino)-2-oxoethyl]-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 16011039
4-[2-(3-Fluoro-phenyl)-2-oxo-ethyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid methyl ester
CID 134147418
4-[2-(4-Fluoro-phenyl)-2-oxo-ethyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid methyl ester
CID 134155158
2,4-Dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid 1-[(furan-2-ylmethyl)-carbamoyl]-2-methyl-propyl ester
CID 652006
methyl 4-(2-oxo-2-phenylethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 20885581
4-Methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid (4-fluoro-benzylcarbamoyl)-methyl ester
CID 24981336
4-[2-(2-Fluoro-phenyl)-2-oxo-ethyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid methyl ester
CID 134141778

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate (CID 90995089) is [3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate is CCCOC(=O)c1cc2occ(CC(C)CCOC(=O)c3[nH]c4ccoc4c3F)c2[nH]1.
What is the InChIKey of [3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is GDYMEGULBNTUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O6/c1-3-6-29-21(26)15-10-16-18(25-15)13(11-31-16)9-12(2)4-7-30-22(27)19-17(23)20-14(24-19)5-8-28-20/h5,8,10-12,24-25H,3-4,6-7,9H2,1-2H3.
What are the key properties of [3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate?
[3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 430.43 g/mol, XLogP of 4.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(5-propoxycarbonyl-4H-furo[3,2-b]pyrrol-3-yl)butyl] 6-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 90995089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).