3-(4-(2-Hydroxyethy)piperazin-1-yl)-7(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido(3,4-b)pyrazin-2(1H)-one hydrochlorate
Basic information
- CAS
402955-58-2- Standard SMILES
CCCOCCn1c(=O)c(N2CCN(CCO)CC2)nc2cnc(-c3ccc(OC)nc3)cc21.Cl- InChIKey
MLAYLAGGPQCXKR-UHFFFAOYSA-N- Molecular formula
- C24H33ClN6O4
- Average molar mass
- 505 g/mol
- Monoisotopic mass
- 504.2251812
Names & identifiers
- Preferred name
- 3-(4-(2-Hydroxyethy)piperazin-1-yl)-7(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido(3,4-b)pyrazin-2(1H)-one hydrochlorate
- IUPAC
- 3-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one;hydrochloride
- English name
- PF-03049423
- Molecular formula
- C24H33ClN6O4
- Molecular weight
- 505.02
Names & synonyms
PF-03049423 hydrochlorideT8B22PH792402955-58-2UNII-T8B22PH7923-(4-(2-Hydroxyethy)piperazin-1-yl)-7(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido(3,4-b)pyrazin-2(1H)-one hydrochlorateCRA95558PF-03049423
Database identifiers
- CAS
402955-58-2- PubChem CID
- 44540939
- UNII
- T8B22PH792
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 686
Physicochemical properties
- FDA UNII
- 8 B22PH792 · T8B22PH792
Chemistry & industry
Applications
UsesPF-03049423 (Compound PF-5) is a potent and highly selective phosphodiesterase-5A inhibitor with an IC50 of about 0.2 nM for rat and human platelet enzyme. PF-03049423 can be used for the research of acute ischaemic stroke[1].
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Compound notes
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