7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid

C17H15FN4O3S — CID 10971631

IUPAC7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid
SMILESNC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cccs2)C1
InChIInChI=1S/C17H15FN4O3S/c18-12-6-10-14(23)11(17(24)25)8-22(13-2-1-5-26-13)15(10)20-16(12)21-4-3-9(19)7-21/h1-2,5-6,8-9H,3-4,7,19H2,(H,24,25)
InChIKeyRRBJPELKFRUVFN-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.82
Rot. Bonds3

About 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid

7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid (PubChem CID 10971631) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid
PubChem CID10971631
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid
SMILESNC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cccs2)C1
InChIInChI=1S/C17H15FN4O3S/c18-12-6-10-14(23)11(17(24)25)8-22(13-2-1-5-26-13)15(10)20-16(12)21-4-3-9(19)7-21/h1-2,5-6,8-9H,3-4,7,19H2,(H,24,25)
InChIKeyRRBJPELKFRUVFN-UHFFFAOYSA-N
XLogP1.82
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(3-fluoro-4-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70285331
7-(3-aminopyrrolidin-1-yl)-1-(1,3-benzothiazol-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 45262495
7-(3-aminopyrrolidin-1-yl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11134455
7-(3-aminopyrrolidin-1-yl)-6-fluoro-1-(2-methylpyrazol-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11761360
7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 87098565
7-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;4-methylbenzenesulfonic acid
CID 76965883
7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;2,6-diaminohexanoic acid
CID 67363668
ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-pyridin-2-yl-1,8-naphthyridine-3-carboxylate
CID 10862218
[1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride
CID 11732657
7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10017205
7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10252980
7-(3-aminoazetidin-1-yl)-1-(5-amino-2-chloro-4-fluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54124556

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid (CID 10971631) is 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid is NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2cccs2)C1.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is RRBJPELKFRUVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c18-12-6-10-14(23)11(17(24)25)8-22(13-2-1-5-26-13)15(10)20-16(12)21-4-3-9(19)7-21/h1-2,5-6,8-9H,3-4,7,19H2,(H,24,25).
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid?
7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 374.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-thiophen-2-yl-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 10971631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).