Skip to content

1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione

C32H33FN2O6 — CID 160585883

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione
SMILESCOc1cc(C(=O)CCC(=O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)ccc1OC1CCN(C)C1=O
InChIInChI=1S/C32H33FN2O6/c1-18-14-20(6-8-22(18)33)29-30-21(32(2,3)17-40-30)16-23(34-29)25(37)10-9-24(36)19-7-11-26(28(15-19)39-5)41-27-12-13-35(4)31(27)38/h6-8,11,14-16,27H,9-10,12-13,17H2,1-5H3
InChIKeyJTEYSQCJMHMLKB-UHFFFAOYSA-N
MW560.62 g/mol
LogP5.33
Rot. Bonds9

About 1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione

1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione (PubChem CID 160585883) has the molecular formula C32H33FN2O6 and a molecular weight of 560.62 g/mol. Its IUPAC name is 1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione.

Molecular Properties

Compound Name1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione
PubChem CID160585883
Molecular FormulaC32H33FN2O6
Molecular Weight560.62 g/mol
Exact Mass560.23
IUPAC Name1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione
SMILESCOc1cc(C(=O)CCC(=O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)ccc1OC1CCN(C)C1=O
InChIInChI=1S/C32H33FN2O6/c1-18-14-20(6-8-22(18)33)29-30-21(32(2,3)17-40-30)16-23(34-29)25(37)10-9-24(36)19-7-11-26(28(15-19)39-5)41-27-12-13-35(4)31(27)38/h6-8,11,14-16,27H,9-10,12-13,17H2,1-5H3
InChIKeyJTEYSQCJMHMLKB-UHFFFAOYSA-N
XLogP5.33
TPSA95.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.62
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione?
The IUPAC name of 1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione (CID 160585883) is 1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione.
What is the SMILES notation for 1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione?
The canonical SMILES for 1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione is COc1cc(C(=O)CCC(=O)c2cc3c(c(-c4ccc(F)c(C)c4)n2)OCC3(C)C)ccc1OC1CCN(C)C1=O.
What is the InChIKey of 1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione?
The InChIKey is JTEYSQCJMHMLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN2O6/c1-18-14-20(6-8-22(18)33)29-30-21(32(2,3)17-40-30)16-23(34-29)25(37)10-9-24(36)19-7-11-26(28(15-19)39-5)41-27-12-13-35(4)31(27)38/h6-8,11,14-16,27H,9-10,12-13,17H2,1-5H3.
What are the key properties of 1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione?
1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione has a molecular weight of 560.62 g/mol, XLogP of 5.33, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-[3-methoxy-4-(1-methyl-2-oxopyrrolidin-3-yl)oxyphenyl]butane-1,4-dione is sourced from PubChem (CID 160585883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.