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

C24H21FN4O3 — CID 53239298

IUPAC3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(pyridin-2-ylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
SMILESO=C1c2ncc3c(c(COCc4ccccn4)cn3Cc3ccc(F)cc3)c2CCN1O
InChIInChI=1S/C24H21FN4O3/c25-18-6-4-16(5-7-18)12-28-13-17(14-32-15-19-3-1-2-9-26-19)22-20-8-10-29(31)24(30)23(20)27-11-21(22)28/h1-7,9,11,13,31H,8,10,12,14-15H2
InChIKeyXUNRDFVKTPSQCB-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.72
Rot. Bonds6

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

3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(pyridin-2-ylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one (PubChem CID 53239298) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(pyridin-2-ylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(pyridin-2-ylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
PubChem CID53239298
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(pyridin-2-ylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
SMILESO=C1c2ncc3c(c(COCc4ccccn4)cn3Cc3ccc(F)cc3)c2CCN1O
InChIInChI=1S/C24H21FN4O3/c25-18-6-4-16(5-7-18)12-28-13-17(14-32-15-19-3-1-2-9-26-19)22-20-8-10-29(31)24(30)23(20)27-11-21(22)28/h1-7,9,11,13,31H,8,10,12,14-15H2
InChIKeyXUNRDFVKTPSQCB-UHFFFAOYSA-N
XLogP3.72
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(pyridin-2-ylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(pyridin-2-ylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one (CID 53239298) is 3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(pyridin-2-ylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(pyridin-2-ylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(pyridin-2-ylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one is O=C1c2ncc3c(c(COCc4ccccn4)cn3Cc3ccc(F)cc3)c2CCN1O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(pyridin-2-ylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one?
The InChIKey is XUNRDFVKTPSQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c25-18-6-4-16(5-7-18)12-28-13-17(14-32-15-19-3-1-2-9-26-19)22-20-8-10-29(31)24(30)23(20)27-11-21(22)28/h1-7,9,11,13,31H,8,10,12,14-15H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(pyridin-2-ylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one?
3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(pyridin-2-ylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one has a molecular weight of 432.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-7-hydroxy-1-(pyridin-2-ylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one is sourced from PubChem (CID 53239298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).