7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

About 7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 122195942) has the molecular formula C26H27F2N5O6 and a molecular weight of 543.53 g/mol. Its IUPAC name is 7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name	7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID	122195942
Molecular Formula	C26H27F2N5O6
Molecular Weight	543.53 g/mol
Exact Mass	543.19
IUPAC Name	7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILES	COc1cc(CO/N=C2\CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4[C@@H]3C[C@@H]3F)CC2CN)cc(OC)c1
InChI	InChI=1S/C26H27F2N5O6/c1-37-15-3-13(4-16(5-15)38-2)12-39-31-21-11-32(9-14(21)8-29)25-20(28)6-17-23(34)18(26(35)36)10-33(24(17)30-25)22-7-19(22)27/h3-6,10,14,19,22H,7-9,11-12,29H2,1-2H3,(H,35,36)/b31-21+/t14?,19-,22+/m0/s1
InChIKey	KWNDIVUKRYMUMY-ZOLQUPNXSA-N
XLogP	2.50
TPSA	141.50 Å²
H-Bond Donors	2
H-Bond Acceptors	10
Rotatable Bonds	9
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.53
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 122195942) is 7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is COc1cc(CO/N=C2\CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4[C@@H]3C[C@@H]3F)CC2CN)cc(OC)c1.

What is the InChIKey of 7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is KWNDIVUKRYMUMY-ZOLQUPNXSA-N. The full InChI is InChI=1S/C26H27F2N5O6/c1-37-15-3-13(4-16(5-15)38-2)12-39-31-21-11-32(9-14(21)8-29)25-20(28)6-17-23(34)18(26(35)36)10-33(24(17)30-25)22-7-19(22)27/h3-6,10,14,19,22H,7-9,11-12,29H2,1-2H3,(H,35,36)/b31-21+/t14?,19-,22+/m0/s1.

What are the key properties of 7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 543.53 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4Z)-3-(aminomethyl)-4-[(3,5-dimethoxyphenyl)methoxyimino]pyrrolidin-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 122195942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).