7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one

C18H23FN4O — CID 139710691

IUPAC7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one
SMILESCC(C)(N)[C@H]1CCN(c2nc3c(cc2F)c(=O)ccn3C2CC2)C1
InChIInChI=1S/C18H23FN4O/c1-18(2,20)11-5-7-22(10-11)17-14(19)9-13-15(24)6-8-23(12-3-4-12)16(13)21-17/h6,8-9,11-12H,3-5,7,10,20H2,1-2H3/t11-/m0/s1
InChIKeyNGNJJRJYNCZBKQ-NSHDSACASA-N
MW330.41 g/mol
LogP2.43
Rot. Bonds3

About 7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one

7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one (PubChem CID 139710691) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one
PubChem CID139710691
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one
SMILESCC(C)(N)[C@H]1CCN(c2nc3c(cc2F)c(=O)ccn3C2CC2)C1
InChIInChI=1S/C18H23FN4O/c1-18(2,20)11-5-7-22(10-11)17-14(19)9-13-15(24)6-8-23(12-3-4-12)16(13)21-17/h6,8-9,11-12H,3-5,7,10,20H2,1-2H3/t11-/m0/s1
InChIKeyNGNJJRJYNCZBKQ-NSHDSACASA-N
XLogP2.43
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one with MolForge

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Related Compounds

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-chloro-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one;quinoline-3-carboxylic acid
CID 159130143
7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70383090
1-cyclopropyl-6-fluoro-4-oxo-7-(3-pyridin-4-ylpyrrolidin-1-yl)-1,8-naphthyridine-3-carboxylic acid
CID 15231291
5-amino-7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 67626594
7-[(3R)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 14555537
[7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridin-3-yl] hydrogen carbonate
CID 67906903
7-[3-(2-aminopropanoylamino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 14555529
1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)quinolin-4-one
CID 135139864
7-[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methyl-3H-cyclopenta[c]quinolin-4-one
CID 129192507
1-ethenyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one
CID 150606294
1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one
CID 141465686

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one?
The IUPAC name of 7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one (CID 139710691) is 7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one?
The canonical SMILES for 7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one is CC(C)(N)[C@H]1CCN(c2nc3c(cc2F)c(=O)ccn3C2CC2)C1.
What is the InChIKey of 7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one?
The InChIKey is NGNJJRJYNCZBKQ-NSHDSACASA-N. The full InChI is InChI=1S/C18H23FN4O/c1-18(2,20)11-5-7-22(10-11)17-14(19)9-13-15(24)6-8-23(12-3-4-12)16(13)21-17/h6,8-9,11-12H,3-5,7,10,20H2,1-2H3/t11-/m0/s1.
What are the key properties of 7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one?
7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one has a molecular weight of 330.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-1,8-naphthyridin-4-one is sourced from PubChem (CID 139710691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).