2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide

C28H32FN7O2 — CID 174674840

IUPAC2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide
SMILES[H]/N=C(\CC)C(CC)CNC(=O)Cc1ccc(-c2ccc3c(=O)c(-c4ncc[nH]4)c(N)n(CC)c3n2)cc1F
InChIInChI=1S/C28H32FN7O2/c1-4-16(21(30)5-2)15-34-23(37)14-17-7-8-18(13-20(17)29)22-10-9-19-25(38)24(27-32-11-12-33-27)26(31)36(6-3)28(19)35-22/h7-13,16,30H,4-6,14-15,31H2,1-3H3,(H,32,33)(H,34,37)/b30-21+
InChIKeyTUOFNMJAYRDSNG-MWAVMZGNSA-N
MW517.61 g/mol
LogP4.31
Rot. Bonds10

About 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide

2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide (PubChem CID 174674840) has the molecular formula C28H32FN7O2 and a molecular weight of 517.61 g/mol. Its IUPAC name is 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide.

Molecular Properties

Compound Name2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide
PubChem CID174674840
Molecular FormulaC28H32FN7O2
Molecular Weight517.61 g/mol
Exact Mass517.26
IUPAC Name2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide
SMILES[H]/N=C(\CC)C(CC)CNC(=O)Cc1ccc(-c2ccc3c(=O)c(-c4ncc[nH]4)c(N)n(CC)c3n2)cc1F
InChIInChI=1S/C28H32FN7O2/c1-4-16(21(30)5-2)15-34-23(37)14-17-7-8-18(13-20(17)29)22-10-9-19-25(38)24(27-32-11-12-33-27)26(31)36(6-3)28(19)35-22/h7-13,16,30H,4-6,14-15,31H2,1-3H3,(H,32,33)(H,34,37)/b30-21+
InChIKeyTUOFNMJAYRDSNG-MWAVMZGNSA-N
XLogP4.31
TPSA142.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.61
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide?
The IUPAC name of 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide (CID 174674840) is 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide.
What is the SMILES notation for 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide?
The canonical SMILES for 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide is [H]/N=C(\CC)C(CC)CNC(=O)Cc1ccc(-c2ccc3c(=O)c(-c4ncc[nH]4)c(N)n(CC)c3n2)cc1F.
What is the InChIKey of 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide?
The InChIKey is TUOFNMJAYRDSNG-MWAVMZGNSA-N. The full InChI is InChI=1S/C28H32FN7O2/c1-4-16(21(30)5-2)15-34-23(37)14-17-7-8-18(13-20(17)29)22-10-9-19-25(38)24(27-32-11-12-33-27)26(31)36(6-3)28(19)35-22/h7-13,16,30H,4-6,14-15,31H2,1-3H3,(H,32,33)(H,34,37)/b30-21+.
What are the key properties of 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide?
2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide has a molecular weight of 517.61 g/mol, XLogP of 4.31, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-amino-8-ethyl-6-(1H-imidazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]-2-fluorophenyl]-N-(2-ethyl-3-iminopentyl)acetamide is sourced from PubChem (CID 174674840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).