ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C24H26F2N4O3 — CID 67275538

IUPACethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CCc2ccccc2F)c2nc(N3CCC(N)C3)c(F)c(C)c2c1=O
InChIInChI=1S/C24H26F2N4O3/c1-3-33-24(32)17-13-30(10-8-15-6-4-5-7-18(15)25)22-19(21(17)31)14(2)20(26)23(28-22)29-11-9-16(27)12-29/h4-7,13,16H,3,8-12,27H2,1-2H3
InChIKeyILSVFDJUJTUDAT-UHFFFAOYSA-N
MW456.49 g/mol
LogP2.94
Rot. Bonds6

About ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 67275538) has the molecular formula C24H26F2N4O3 and a molecular weight of 456.49 g/mol. Its IUPAC name is ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID67275538
Molecular FormulaC24H26F2N4O3
Molecular Weight456.49 g/mol
Exact Mass456.20
IUPAC Nameethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CCc2ccccc2F)c2nc(N3CCC(N)C3)c(F)c(C)c2c1=O
InChIInChI=1S/C24H26F2N4O3/c1-3-33-24(32)17-13-30(10-8-15-6-4-5-7-18(15)25)22-19(21(17)31)14(2)20(26)23(28-22)29-11-9-16(27)12-29/h4-7,13,16H,3,8-12,27H2,1-2H3
InChIKeyILSVFDJUJTUDAT-UHFFFAOYSA-N
XLogP2.94
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 67275538) is ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(CCc2ccccc2F)c2nc(N3CCC(N)C3)c(F)c(C)c2c1=O.
What is the InChIKey of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is ILSVFDJUJTUDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3/c1-3-33-24(32)17-13-30(10-8-15-6-4-5-7-18(15)25)22-19(21(17)31)14(2)20(26)23(28-22)29-11-9-16(27)12-29/h4-7,13,16H,3,8-12,27H2,1-2H3.
What are the key properties of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 456.49 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 67275538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).