7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

C18H19FN4O3 — CID 139740905

IUPAC7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESNC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C2CCC12
InChIInChI=1S/C18H19FN4O3/c19-12-5-10-15(24)11(18(25)26)6-22(8-1-2-8)16(10)21-17(12)23-7-13(20)9-3-4-14(9)23/h5-6,8-9,13-14H,1-4,7,20H2,(H,25,26)
InChIKeyYWZXNVBISPDPFT-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.49
Rot. Bonds3

About 7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 139740905) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID139740905
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESNC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C2CCC12
InChIInChI=1S/C18H19FN4O3/c19-12-5-10-15(24)11(18(25)26)6-22(8-1-2-8)16(10)21-17(12)23-7-13(20)9-3-4-14(9)23/h5-6,8-9,13-14H,1-4,7,20H2,(H,25,26)
InChIKeyYWZXNVBISPDPFT-UHFFFAOYSA-N
XLogP1.49
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(1R,5S,6S)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 22862065
1-cyclopropyl-6-fluoro-4-oxo-7-pyrrol-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70462520
1-cyclopropyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 75106410
1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 13471156
7-[(3S,4R)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70383038
7-[(3S,4S,5R)-3-amino-4-ethyl-5-methylpiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20792060
7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70383090
7-(1-amino-3-azabicyclo[3.1.0]hexan-3-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 15713457
7-[3-(2-aminopropanoylamino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 14555529
7-[(3R)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 14555537
8-[(2S,3R)-3-amino-2-methylazetidin-1-yl]-1-cyclopropyl-7-fluoro-4-oxobenzo[b][1,8]naphthyridine-3-carboxylic acid
CID 67732729
7-[(3R,4S)-3-amino-4-(4-propan-2-ylphenyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54504158

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 139740905) is 7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is NC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C2CCC12.
What is the InChIKey of 7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is YWZXNVBISPDPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-12-5-10-15(24)11(18(25)26)6-22(8-1-2-8)16(10)21-17(12)23-7-13(20)9-3-4-14(9)23/h5-6,8-9,13-14H,1-4,7,20H2,(H,25,26).
What are the key properties of 7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 358.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-2-azabicyclo[3.2.0]heptan-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 139740905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).