7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione

C20H17F2N5O3 — CID 54173423

IUPAC7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
SMILESCC1CN(c2nc3c(cc2F)c(=O)c2c(=O)[nH]oc2n3-c2ccc(F)cc2)CC1N
InChIInChI=1S/C20H17F2N5O3/c1-9-7-26(8-14(9)23)18-13(22)6-12-16(28)15-19(29)25-30-20(15)27(17(12)24-18)11-4-2-10(21)3-5-11/h2-6,9,14H,7-8,23H2,1H3,(H,25,29)
InChIKeyOWPFDCQDNHBDCG-UHFFFAOYSA-N
MW413.38 g/mol
LogP1.88
Rot. Bonds2

About 7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione

7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione (PubChem CID 54173423) has the molecular formula C20H17F2N5O3 and a molecular weight of 413.38 g/mol. Its IUPAC name is 7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione.

Molecular Properties

Compound Name7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
PubChem CID54173423
Molecular FormulaC20H17F2N5O3
Molecular Weight413.38 g/mol
Exact Mass413.13
IUPAC Name7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
SMILESCC1CN(c2nc3c(cc2F)c(=O)c2c(=O)[nH]oc2n3-c2ccc(F)cc2)CC1N
InChIInChI=1S/C20H17F2N5O3/c1-9-7-26(8-14(9)23)18-13(22)6-12-16(28)15-19(29)25-30-20(15)27(17(12)24-18)11-4-2-10(21)3-5-11/h2-6,9,14H,7-8,23H2,1H3,(H,25,29)
InChIKeyOWPFDCQDNHBDCG-UHFFFAOYSA-N
XLogP1.88
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-fluoro-9-(4-fluorophenyl)-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 21294347
7-(3-amino-4-methylpyrrolidin-1-yl)-8-chloro-9-(2,4-difluorophenyl)-6-fluoro-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
CID 67935519
9-ethyl-6-fluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 21294348
7-(3-amino-4-methylpyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 57248114
ethyl 7-[(3S,4R)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-1-(4-methoxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11247666
7-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid
CID 3072819
7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 45262555
8-chloro-9-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
CID 67935532
7-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-3-methyl-1,8-naphthyridin-4-one
CID 59972012
7-(4-aminocyclohexyl)-6-fluoro-9-(4-fluorophenyl)-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
CID 54471257
7-(6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 21475372
7-[(1S,5S,6S)-6-amino-1-methyl-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 70207564

Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The IUPAC name of 7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione (CID 54173423) is 7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione.
What is the SMILES notation for 7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The canonical SMILES for 7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione is CC1CN(c2nc3c(cc2F)c(=O)c2c(=O)[nH]oc2n3-c2ccc(F)cc2)CC1N.
What is the InChIKey of 7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The InChIKey is OWPFDCQDNHBDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O3/c1-9-7-26(8-14(9)23)18-13(22)6-12-16(28)15-19(29)25-30-20(15)27(17(12)24-18)11-4-2-10(21)3-5-11/h2-6,9,14H,7-8,23H2,1H3,(H,25,29).
What are the key properties of 7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione?
7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione has a molecular weight of 413.38 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-4-methylpyrrolidin-1-yl)-6-fluoro-9-(4-fluorophenyl)-[1,2]oxazolo[5,4-b][1,8]naphthyridine-3,4-dione is sourced from PubChem (CID 54173423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).