7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid

C19H15F3N4O3 — CID 88633556

IUPAC7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid
SMILESNC1CCN(c2nc3c(c(F)c2F)c(=O)c(C(=O)O)c(F)n3-c2ccccc2)C1
InChIInChI=1S/C19H15F3N4O3/c20-13-11-15(27)12(19(28)29)16(22)26(10-4-2-1-3-5-10)17(11)24-18(14(13)21)25-7-6-9(23)8-25/h1-5,9H,6-8,23H2,(H,28,29)
InChIKeyKQEZVUAHHVMPGJ-UHFFFAOYSA-N
MW404.35 g/mol
LogP2.04
Rot. Bonds3

About 7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid

7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 88633556) has the molecular formula C19H15F3N4O3 and a molecular weight of 404.35 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid
PubChem CID88633556
Molecular FormulaC19H15F3N4O3
Molecular Weight404.35 g/mol
Exact Mass404.11
IUPAC Name7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid
SMILESNC1CCN(c2nc3c(c(F)c2F)c(=O)c(C(=O)O)c(F)n3-c2ccccc2)C1
InChIInChI=1S/C19H15F3N4O3/c20-13-11-15(27)12(19(28)29)16(22)26(10-4-2-1-3-5-10)17(11)24-18(14(13)21)25-7-6-9(23)8-25/h1-5,9H,6-8,23H2,(H,28,29)
InChIKeyKQEZVUAHHVMPGJ-UHFFFAOYSA-N
XLogP2.04
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid (CID 88633556) is 7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid is NC1CCN(c2nc3c(c(F)c2F)c(=O)c(C(=O)O)c(F)n3-c2ccccc2)C1.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is KQEZVUAHHVMPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O3/c20-13-11-15(27)12(19(28)29)16(22)26(10-4-2-1-3-5-10)17(11)24-18(14(13)21)25-7-6-9(23)8-25/h1-5,9H,6-8,23H2,(H,28,29).
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid?
7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 404.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrolidin-1-yl)-2,5,6-trifluoro-4-oxo-1-phenyl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 88633556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).