1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C22H18FN5O4 — CID 46869700

IUPAC1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2nc(N3CC4ON=C(c5cccnc5)C4C3)c(F)cc2c1=O
InChIInChI=1S/C22H18FN5O4/c23-16-6-13-19(29)15(22(30)31)9-28(12-3-4-12)20(13)25-21(16)27-8-14-17(10-27)32-26-18(14)11-2-1-5-24-7-11/h1-2,5-7,9,12,14,17H,3-4,8,10H2,(H,30,31)
InChIKeySRNLCQCMJVYZHT-UHFFFAOYSA-N
MW435.42 g/mol
LogP2.20
Rot. Bonds4

About 1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 46869700) has the molecular formula C22H18FN5O4 and a molecular weight of 435.42 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID46869700
Molecular FormulaC22H18FN5O4
Molecular Weight435.42 g/mol
Exact Mass435.13
IUPAC Name1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2nc(N3CC4ON=C(c5cccnc5)C4C3)c(F)cc2c1=O
InChIInChI=1S/C22H18FN5O4/c23-16-6-13-19(29)15(22(30)31)9-28(12-3-4-12)20(13)25-21(16)27-8-14-17(10-27)32-26-18(14)11-2-1-5-24-7-11/h1-2,5-7,9,12,14,17H,3-4,8,10H2,(H,30,31)
InChIKeySRNLCQCMJVYZHT-UHFFFAOYSA-N
XLogP2.20
TPSA109.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
CID 15231291
1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyrimidin-2-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
CID 19959049
1-cyclopropyl-6-fluoro-4-oxo-7-pyrrol-1-yl-1,8-naphthyridine-3-carboxylic acid
CID 70462520
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
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
7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10003951
7-[(3S,4R)-3-(aminomethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70383038
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
7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70383090
7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67742795
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
1-cyclopropyl-7-[(3S,4S)-3-(ethylaminomethyl)-4-fluoropyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70382679

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 46869700) is 1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2nc(N3CC4ON=C(c5cccnc5)C4C3)c(F)cc2c1=O.
What is the InChIKey of 1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is SRNLCQCMJVYZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O4/c23-16-6-13-19(29)15(22(30)31)9-28(12-3-4-12)20(13)25-21(16)27-8-14-17(10-27)32-26-18(14)11-2-1-5-24-7-11/h1-2,5-7,9,12,14,17H,3-4,8,10H2,(H,30,31).
What are the key properties of 1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 435.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 46869700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).