3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C28H26FN3O4 — CID 26220698

IUPAC3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOCc1ccc(C(=O)N2CCc3c(cc(Cc4ccccc4F)c(=O)n3Cc3cccnc3)C2)o1
InChIInChI=1S/C28H26FN3O4/c1-35-18-23-8-9-26(36-23)28(34)31-12-10-25-22(17-31)14-21(13-20-6-2-3-7-24(20)29)27(33)32(25)16-19-5-4-11-30-15-19/h2-9,11,14-15H,10,12-13,16-18H2,1H3
InChIKeyTXTINFLZTZVODP-UHFFFAOYSA-N
MW487.53 g/mol
LogP3.96
Rot. Bonds7

About 3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26220698) has the molecular formula C28H26FN3O4 and a molecular weight of 487.53 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26220698
Molecular FormulaC28H26FN3O4
Molecular Weight487.53 g/mol
Exact Mass487.19
IUPAC Name3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOCc1ccc(C(=O)N2CCc3c(cc(Cc4ccccc4F)c(=O)n3Cc3cccnc3)C2)o1
InChIInChI=1S/C28H26FN3O4/c1-35-18-23-8-9-26(36-23)28(34)31-12-10-25-22(17-31)14-21(13-20-6-2-3-7-24(20)29)27(33)32(25)16-19-5-4-11-30-15-19/h2-9,11,14-15H,10,12-13,16-18H2,1H3
InChIKeyTXTINFLZTZVODP-UHFFFAOYSA-N
XLogP3.96
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one 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 3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26220698) is 3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is COCc1ccc(C(=O)N2CCc3c(cc(Cc4ccccc4F)c(=O)n3Cc3cccnc3)C2)o1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is TXTINFLZTZVODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O4/c1-35-18-23-8-9-26(36-23)28(34)31-12-10-25-22(17-31)14-21(13-20-6-2-3-7-24(20)29)27(33)32(25)16-19-5-4-11-30-15-19/h2-9,11,14-15H,10,12-13,16-18H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 487.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-6-[5-(methoxymethyl)furan-2-carbonyl]-1-(pyridin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26220698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).