PD 131628
Basic information
- CAS
127967-03-7- Standard SMILES
N[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1- InChIKey
MUKSDTOOLRNSIO-QMMMGPOBSA-N- Molecular formula
- C16H17FN4O3
- Average molar mass
- 332.33 g/mol
- Monoisotopic mass
- 332.12846858
Overview
(S)-7-(3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid is a naphthyridine derivative.
Names & identifiers
- Preferred name
- PD 131628
- IUPAC
- 7-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
- English name
- PD 131628
- Molecular formula
- C16H17FN4O3
- Molecular weight
- 332.33
Names & synonyms
127967-03-7PD 131628PD-131628YS492L6CHP1,8-Naphthyridine-3-carboxylic acid, 7-[(3S)-3-amino-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-PD1316281,8-Naphthyridine-3-carboxylic acid, 7-((3S)-3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-Naphthyridine-3-carboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, (S)-RefChem:1705287-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid(S)-7-(3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid(S)-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
Show more names
CI-9901-Cyclopropyl-1,4-dihydro-6-fluoro-7-[[(3S)-3-aminopyrrolidin]-1-yl]-1,8-naphthyridine-3-carboxylic acid
7-(3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acidUNII-YS492L6CHPCI-990 (Hydrochloride)122536-20-3CHEMBL51678PD131628 (Hydrochloride)orb1695737SCHEMBL9838735
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 594
Physicochemical properties
- Boiling point
- 586.1 · 586.1±50.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- pka
- 6.03 · 6.03±0.70(Predicted)
- FDA UNII
- 492 L6CHP · YS492L6CHP
- EPA Substance Registry System
- -7 · (S)-7-(3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid (127967-03-7)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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