7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

C24H26FN5O3 — CID 10003951

About 7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 10003951) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 10003951
• Molecular Formula: C24H26FN5O3
• Molecular Weight: 451.50 g/mol
• Exact Mass: 451.20
• IUPAC Name: 7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: NCc1cccc([C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)C[C@H]2CN)c1
• InChI: InChI=1S/C24H26FN5O3/c25-20-7-17-21(31)19(24(32)33)12-30(16-4-5-16)22(17)28-23(20)29-10-15(9-27)18(11-29)14-3-1-2-13(6-14)8-26/h1-3,6-7,12,15-16,18H,4-5,8-11,26-27H2,(H,32,33)/t15-,18+/m1/s1
• InChIKey: SDKPZDPPXDREME-QAPCUYQASA-N
• XLogP: 2.21
• TPSA: 127.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.50
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 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) is 7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is NCc1cccc([C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)C[C@H]2CN)c1.

What is the InChIKey of 7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is SDKPZDPPXDREME-QAPCUYQASA-N. The full InChI is InChI=1S/C24H26FN5O3/c25-20-7-17-21(31)19(24(32)33)12-30(16-4-5-16)22(17)28-23(20)29-10-15(9-27)18(11-29)14-3-1-2-13(6-14)8-26/h1-3,6-7,12,15-16,18H,4-5,8-11,26-27H2,(H,32,33)/t15-,18+/m1/s1.

What are the key properties of 7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid?

7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 451.50 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3R,4R)-3-(aminomethyl)-4-[3-(aminomethyl)phenyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 10003951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).