7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide

C24H26FN5O5 — CID 69482646

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCNC2=O)c1=O
InChIInChI=1S/C24H26FN5O5/c1-35-11-7-26-22(32)19-21(31)20-18(30(23(19)33)10-9-29-8-6-27-24(29)34)13-16(14-28-20)12-15-2-4-17(25)5-3-15/h2-5,13-14,31H,6-12H2,1H3,(H,26,32)(H,27,34)
InChIKeyMPPKYMNEIGIUTH-UHFFFAOYSA-N
MW483.50 g/mol
LogP1.23
Rot. Bonds9

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide (PubChem CID 69482646) has the molecular formula C24H26FN5O5 and a molecular weight of 483.50 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
PubChem CID69482646
Molecular FormulaC24H26FN5O5
Molecular Weight483.50 g/mol
Exact Mass483.19
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCNC2=O)c1=O
InChIInChI=1S/C24H26FN5O5/c1-35-11-7-26-22(32)19-21(31)20-18(30(23(19)33)10-9-29-8-6-27-24(29)34)13-16(14-28-20)12-15-2-4-17(25)5-3-15/h2-5,13-14,31H,6-12H2,1H3,(H,26,32)(H,27,34)
InChIKeyMPPKYMNEIGIUTH-UHFFFAOYSA-N
XLogP1.23
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide (CID 69482646) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCNC2=O)c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The InChIKey is MPPKYMNEIGIUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O5/c1-35-11-7-26-22(32)19-21(31)20-18(30(23(19)33)10-9-29-8-6-27-24(29)34)13-16(14-28-20)12-15-2-4-17(25)5-3-15/h2-5,13-14,31H,6-12H2,1H3,(H,26,32)(H,27,34).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide has a molecular weight of 483.50 g/mol, XLogP of 1.23, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).