7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate

C25H26FNO5 — CID 162356702

IUPAC7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCn1cc2cc(-c3cccc(F)c3)c(=O)oc2cc1=O
InChIInChI=1S/C25H26FNO5/c1-17(2)24(29)31-12-7-5-3-4-6-11-27-16-19-14-21(18-9-8-10-20(26)13-18)25(30)32-22(19)15-23(27)28/h8-10,13-16H,1,3-7,11-12H2,2H3
InChIKeyMUYHYYMRVCWLFB-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.83
Rot. Bonds10

About 7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate

7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate (PubChem CID 162356702) has the molecular formula C25H26FNO5 and a molecular weight of 439.48 g/mol. Its IUPAC name is 7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate
PubChem CID162356702
Molecular FormulaC25H26FNO5
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCn1cc2cc(-c3cccc(F)c3)c(=O)oc2cc1=O
InChIInChI=1S/C25H26FNO5/c1-17(2)24(29)31-12-7-5-3-4-6-11-27-16-19-14-21(18-9-8-10-20(26)13-18)25(30)32-22(19)15-23(27)28/h8-10,13-16H,1,3-7,11-12H2,2H3
InChIKeyMUYHYYMRVCWLFB-UHFFFAOYSA-N
XLogP4.83
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate 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 7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate?
The IUPAC name of 7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate (CID 162356702) is 7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate.
What is the SMILES notation for 7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate?
The canonical SMILES for 7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCn1cc2cc(-c3cccc(F)c3)c(=O)oc2cc1=O.
What is the InChIKey of 7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate?
The InChIKey is MUYHYYMRVCWLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO5/c1-17(2)24(29)31-12-7-5-3-4-6-11-27-16-19-14-21(18-9-8-10-20(26)13-18)25(30)32-22(19)15-23(27)28/h8-10,13-16H,1,3-7,11-12H2,2H3.
What are the key properties of 7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate?
7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate has a molecular weight of 439.48 g/mol, XLogP of 4.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-fluorophenyl)-2,7-dioxopyrano[3,2-c]pyridin-6-yl]heptyl 2-methylprop-2-enoate is sourced from PubChem (CID 162356702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).