1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one

C25H21F2N3O3 — CID 53239515

IUPAC1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
SMILESO=C1c2ncc3c(c(COCc4ccccc4F)cn3Cc3ccc(F)cc3)c2CCN1O
InChIInChI=1S/C25H21F2N3O3/c26-19-7-5-16(6-8-19)12-29-13-18(15-33-14-17-3-1-2-4-21(17)27)23-20-9-10-30(32)25(31)24(20)28-11-22(23)29/h1-8,11,13,32H,9-10,12,14-15H2
InChIKeyIZLNWXBYDXSCQD-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.47
Rot. Bonds6

About 1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one

1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one (PubChem CID 53239515) has the molecular formula C25H21F2N3O3 and a molecular weight of 449.46 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
PubChem CID53239515
Molecular FormulaC25H21F2N3O3
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
SMILESO=C1c2ncc3c(c(COCc4ccccc4F)cn3Cc3ccc(F)cc3)c2CCN1O
InChIInChI=1S/C25H21F2N3O3/c26-19-7-5-16(6-8-19)12-29-13-18(15-33-14-17-3-1-2-4-21(17)27)23-20-9-10-30(32)25(31)24(20)28-11-22(23)29/h1-8,11,13,32H,9-10,12,14-15H2
InChIKeyIZLNWXBYDXSCQD-UHFFFAOYSA-N
XLogP4.47
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze 1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-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 1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one?
The IUPAC name of 1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one (CID 53239515) is 1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one?
The canonical SMILES for 1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one is O=C1c2ncc3c(c(COCc4ccccc4F)cn3Cc3ccc(F)cc3)c2CCN1O.
What is the InChIKey of 1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one?
The InChIKey is IZLNWXBYDXSCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3/c26-19-7-5-16(6-8-19)12-29-13-18(15-33-14-17-3-1-2-4-21(17)27)23-20-9-10-30(32)25(31)24(20)28-11-22(23)29/h1-8,11,13,32H,9-10,12,14-15H2.
What are the key properties of 1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one?
1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one has a molecular weight of 449.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methoxymethyl]-3-[(4-fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one is sourced from PubChem (CID 53239515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).